| SpectraBase Spectrum ID |
8IHjxDzTUGW |
| Name |
Cafedrine-A (-H2O) PFP |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
485.148630336 u |
| Formula |
C21H20F5N5O3 |
| InChI |
InChI=1S/C21H20F5N5O3/c1-13(11-14-7-5-4-6-8-14)31(18(33)20(22,23)21(24,25)26)10-9-30-12-27-16-15(30)17(32)29(3)19(34)28(16)2/h4-8,11-12H,9-10H2,1-3H3/b13-11+ |
| InChIKey |
SHPOPPYDRUSMIH-ACCUITESSA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
485.415 g/mol |
| Nominal Mass |
485 u |
| Reagent Gas |
Methane |
| Retention Index |
3844 |
| SMILES |
C12=C(N(C(N(C2=O)C)=O)C)N=CN1CCN(C(C(C(F)(F)F)(F)F)=O)\C(=C\C=1C=CC=CC1)C |
| SPLASH |
splash10-000i-0000910000-8d23e5f1470f465cf57d |
| 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)-2,2,3,3,3-pentafluoro-N-\r(1-phenylprop-1-en-2-yl)propanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000413 |
