| SpectraBase Spectrum ID |
2l6U1fYLbFo |
| Name |
Cafedrine AC (O) |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
399.190654301 u |
| Formula |
C20H25N5O4 |
| InChI |
InChI=1S/C20H25N5O4/c1-13(17(29-14(2)26)15-8-6-5-7-9-15)21-10-11-25-12-22-18-16(25)19(27)24(4)20(28)23(18)3/h5-9,12-13,17,21H,10-11H2,1-4H3 |
| InChIKey |
MVECUUCPMDVDJL-UHFFFAOYSA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
399.451 g/mol |
| Nominal Mass |
399 u |
| Reagent Gas |
Methane |
| Retention Index |
3315 |
| SMILES |
C12=C(N(C(N(C2=O)C)=O)C)N=CN1CCNC(C(C1=CC=CC=C1)OC(=O)C)C |
| SPLASH |
splash10-0udl-0149700000-fd2bff81aae072576e54 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-((2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl)amino)-1-phenylpropyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000406 |
