SpectraBase Spectrum ID |
JIAfnwrVPRw |
Name |
Sumatriptan |
CAS Registry Number |
103628-46-2 |
Classification |
Serotonin agonist |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
295.135448100 u |
Formula |
C14H21N3O2S |
InChI |
InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 |
InChIKey |
KQKPFRSPSRPDEB-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
295.401 g/mol |
Nominal Mass |
295 u |
Quality |
996 |
Retention Index |
2385 |
SMILES |
C=12C(NC=C2CCN(C)C)=CC=C(C1)CS(NC)(=O)=O |
SPLASH |
splash10-0a4i-9200000000-ccf6be0fc6d08e7bcc84 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-[3-(2-Dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide |
Technique |
GC/MS |
Wiley ID |
DD2024_023510 |