| SpectraBase Spectrum ID |
FTfDX7tM1tU |
| Name |
Chlordiazepoxide-M/A (Desoxy) |
| Classification |
Drug metabolite, artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
283.087625163 u |
| Formula |
C16H14ClN3 |
| InChI |
InChI=1S/C16H14ClN3/c1-18-15-10-19-16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)20-15/h2-9H,10H2,1H3,(H,18,20) |
| InChIKey |
FAMNQSVPYUAUAF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
283.762 g/mol |
| Nominal Mass |
283 u |
| Quality |
713 |
| Retention Index |
2334 |
| SMILES |
C1=2C(C=3C=CC=CC3)=NCC(=NC1=CC=C(C2)Cl)NC |
| SPLASH |
splash10-001i-4690000000-0810e680a1e0c24cab00 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
7-Chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006918 |
