| SpectraBase Spectrum ID |
GhkGrOuZxCq |
| Name |
Brotizolam-M (6-OH) |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
407.944722831 u |
| Formula |
C15H10BrClN4OS |
| InChI |
InChI=1S/C15H10BrClN4OS/c1-7-19-20-13-14(22)18-12(8-4-2-3-5-10(8)17)9-6-11(16)23-15(9)21(7)13/h2-6,14,22H,1H3 |
| InChIKey |
FNHJIEIZAKAUAN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
409.689 g/mol |
| Nominal Mass |
408 u |
| Quality |
764 |
| Retention Index |
3065 |
| SMILES |
OC1C=2N(C3=C(C(C=4C(=CC=CC4)Cl)=N1)C=C(S3)Br)C(=NN2)C |
| SPLASH |
splash10-001i-1439000000-008e2c574be50eb3f6aa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-bromo-4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009254 |
