| SpectraBase Spectrum ID |
8FSbdR68Lya |
| Name |
Cafedrine-A (-H2O) AC |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
381.180089618 u |
| Formula |
C20H23N5O3 |
| InChI |
InChI=1S/C20H23N5O3/c1-14(12-16-8-6-5-7-9-16)25(15(2)26)11-10-24-13-21-18-17(24)19(27)23(4)20(28)22(18)3/h5-9,12-13H,10-11H2,1-4H3/b14-12+ |
| InChIKey |
JGDURJZJIHLSTG-WYMLVPIESA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
381.436 g/mol |
| Nominal Mass |
381 u |
| Reagent Gas |
Methane |
| Retention Index |
3156 |
| SMILES |
C12=C(N(C(N(C2=O)C)=O)C)N=CN1CCN(\C(=C\C=1C=CC=CC1)C)C(=O)C |
| SPLASH |
splash10-001i-0129100000-698a8c79eee56eb185d2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl)-N-((1E)-1-phenylprop-1-en-2-yl)\racetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000410 |
