| SpectraBase Spectrum ID |
JGGPbDHlVz6 |
| Name |
Cafedrine-A (-H2O) |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
339.169524934 u |
| Formula |
C18H21N5O2 |
| InChI |
InChI=1S/C18H21N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,11-12,19H,9-10H2,1-3H3/b13-11+ |
| InChIKey |
WTMAXGDDIAUVDS-ACCUITESSA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
339.399 g/mol |
| Nominal Mass |
339 u |
| Reagent Gas |
Methane |
| Retention Index |
2897 |
| SMILES |
C12=C(N(C(N(C2=O)C)=O)C)N=CN1CCN\C(=C\C=1C=CC=CC1)C |
| SPLASH |
splash10-01ox-0359000000-58f3a3c7c614bc868493 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3-dimethyl-7-(2-((-1-phenylprop-1-en-2-yl)amino)ethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000408 |
