| SpectraBase Spectrum ID |
2mhZqvLqcQC |
| Name |
Quetiapine-M (Desalkyl) AC |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
337.124883417 u |
| Formula |
C19H19N3OS |
| InChI |
InChI=1S/C19H19N3OS/c1-14(23)21-10-12-22(13-11-21)19-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)20-19/h2-9H,10-13H2,1H3 |
| InChIKey |
HXDQJFMZTKIQQN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
337.441 g/mol |
| Nominal Mass |
337 u |
| Quality |
995 |
| Retention Index |
2727 |
| SMILES |
C=1(C2=C(SC=3C(N1)=CC=CC3)C=CC=C2)N1CCN(CC1)C(=O)C |
| SPLASH |
splash10-0iki-1291000000-e026a7d9a3304da2f06f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033249 |
