| SpectraBase Spectrum ID |
8IF9TSa7fTE |
| Name |
Setipiprant-A (-CO2) |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
358.148141402 u |
| Formula |
C23H19FN2O |
| InChI |
InChI=1S/C23H19FN2O/c1-25-21-10-9-16(24)13-19(21)20-14-26(12-11-22(20)25)23(27)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13H,11-12,14H2,1H3 |
| InChIKey |
MFRQEEYXJCITER-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
358.416 g/mol |
| Nominal Mass |
358 u |
| Quality |
948 |
| Retention Index |
2893 |
| SMILES |
C1=2C=3C(N(C2CCN(C(C=2C4=C(C=CC2)C=CC=C4)=O)C1)C)=CC=C(C3)F |
| SPLASH |
splash10-0kdi-0922000000-a6f91dabce1fdc82b043 |
| 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_025520 |
