| SpectraBase Spectrum ID |
2ntHADB97fk |
| Name |
Quetiapine-M/A (N-Desalkyl,desulfo) AC |
| Classification |
Pharmaceutical drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
305.152812243 u |
| Formula |
C19H19N3O |
| InChI |
InChI=1S/C19H19N3O/c1-14(23)21-10-12-22(13-11-21)19-17-8-3-2-6-15(17)16-7-4-5-9-18(16)20-19/h2-9H,10-13H2,1H3 |
| InChIKey |
YBTVNFSTYBMZJV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
305.381 g/mol |
| Nominal Mass |
305 u |
| Quality |
912 |
| Retention Index |
2547 |
| SMILES |
C=1(C2=C(C=3C(N1)=CC=CC3)C=CC=C2)N1CCN(CC1)C(=O)C |
| SPLASH |
splash10-0a4i-1590000000-83a4dcfb87808fc558c7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-(phenanthridin-6-yl)piperazin-1-yl)ethan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009285 |
