| SpectraBase Spectrum ID |
Dkdk0rtceNk |
| Name |
Quetiapine-M (Formyl,desulfo) |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
335.199762436 u |
| Formula |
C21H25N3O |
| InChI |
InChI=1S/C21H25N3O/c1-2-25-16-15-23-11-13-24(14-12-23)21-19-9-4-3-7-17(19)18-8-5-6-10-20(18)22-21/h3-10H,2,11-16H2,1H3 |
| InChIKey |
ONPGOACDMGFTTB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
335.451 g/mol |
| Nominal Mass |
335 u |
| Quality |
924 |
| Retention Index |
2759 |
| SMILES |
C=12C(N3CCN(CC3)CCOCC)=NC=3C(C1C=CC=C2)=CC=CC3 |
| SPLASH |
splash10-0a4i-1890000000-c1f26e4cacd279cd68ce |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-(4-(2-ethoxyethyl)piperazin-1-yl)phenanthridine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009283 |
