| SpectraBase Spectrum ID |
JHvaK3g557Y |
| Name |
Setipiprant-A (-C2H2O2) |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
344.132491337 u |
| Formula |
C22H17FN2O |
| InChI |
InChI=1S/C22H17FN2O/c23-15-8-9-20-18(12-15)19-13-25(11-10-21(19)24-20)22(26)17-7-3-5-14-4-1-2-6-16(14)17/h1-9,12,24H,10-11,13H2 |
| InChIKey |
WSZUGTWOLPBDQI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
344.389 g/mol |
| Nominal Mass |
344 u |
| Quality |
989 |
| Retention Index |
2793 |
| SMILES |
C1=2C=3C(NC2CCN(C(C=2C4=C(C=CC2)C=CC=C4)=O)C1)=CC=C(C3)F |
| SPLASH |
splash10-0bvu-0901000000-259f32e3e54411755a11 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(8-fluoro-5-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)(naphthalen-1-yl)methanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025521 |
