| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:38:52 UTC |
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| Updated at | 2021-01-22 17:44:17 UTC |
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| CannabisDB ID | CDB005620 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | N-Methylazacarbazole |
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| Description | N-Methyl-1-azacarbazole, also known as 9-methyl-alpha-carboline, belongs to the class of organic compounds known as alpha carbolines. These are organic compounds which contain a pyridine and an indole moiety fused together. N-Methyl-1-azacarbazole is a strongly basic compound. N-Methyl-1-azacarbazole is a methylated derivative of 1-azacarbazole or alpha-carboline. Alpha-carboline is a light brown solid. N-Methyl-1-azacarbazole is also classified as alkylazacarbazole and one of several structural isomers of alpha-carboline which is substituted by one methyl group at different positions. N-Methylazacarbazole is formed during the combustion of cannabis and can be found in cannabis smoke (Ref: Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C12H10N2 |
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| Average Molecular Weight | 182.23 |
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| Monoisotopic Molecular Weight | 182.0844 |
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| IUPAC Name | 9-methyl-9H-pyrido[2,3-b]indole |
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| Traditional Name | 9-methylpyrido[2,3-b]indole |
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| CAS Registry Number | Not Available |
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| SMILES | CN1C2=CC=CC=C2C2=CC=CN=C12 |
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| InChI Identifier | InChI=1S/C12H10N2/c1-14-11-7-3-2-5-9(11)10-6-4-8-13-12(10)14/h2-8H,1H3 |
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| InChI Key | NVSXQUCPVQBLSB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as alpha carbolines. These are organic compounds containing a pyrido[2,3-b]indole core (which is a pyridine fused to an indole). |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Indoles and derivatives |
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| Sub Class | Pyridoindoles |
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| Direct Parent | Alpha carbolines |
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| Alternative Parents | |
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| Substituents | - Alpha-carboline
- N-alkylindole
- Pyrrolopyridine
- Indole
- Benzenoid
- Substituted pyrrole
- Pyridine
- N-methylpyrrole
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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|
Not Available | | Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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| Spectra |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | 2020-06-30 | View Spectrum |
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| NMR | Not Available |
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| Pathways |
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| Pathways | Not Available |
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| Protein Targets |
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| Enzymes | Not Available |
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| Transporters | Not Available |
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| Metal Bindings | Not Available |
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| Receptors | Not Available |
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| Transcriptional Factors | Not Available |
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| Concentrations Data |
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| Not Available |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | 14149792 |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Not Available |
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| METLIN ID | Not Available |
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| PubChem Compound | 12596580 |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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| References |
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| General References | Not Available |
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