| SpectraBase Spectrum ID |
JFZKGHZn4l6 |
| Name |
Piretanid 3ME |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
404.140593050 u |
| Formula |
C20H24N2O5S |
| InChI |
InChI=1S/C20H24N2O5S/c1-21(2)28(24,25)18-14-15(20(23)26-3)13-17(22-11-7-8-12-22)19(18)27-16-9-5-4-6-10-16/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3 |
| InChIKey |
JLYNDJGRHUBDOF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
404.481 g/mol |
| Nominal Mass |
404 u |
| Quality |
912 |
| SMILES |
C=1(C(=C(N2CCCC2)C=C(C1)C(OC)=O)OC1=CC=CC=C1)S(N(C)C)(=O)=O |
| SPLASH |
splash10-0005-7970000000-921d363f3db755f17aeb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 3-((dimethylamino)sulfonyl)-4-phenoxy-5-(pyrrolidin-1-yl)benzoate |
| Technique |
DI/MS |
| Wiley ID |
DD2024_003691 |
