| SpectraBase Spectrum ID |
8IxiI8yecQS |
| Name |
Cafedrine |
| CAS Registry Number |
58166-83-9 |
| Classification |
Pharmaceutical drug, antihypotonic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
357.180089618 u |
| Formula |
C18H23N5O3 |
| InChI |
InChI=1S/C18H23N5O3/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2/h4-8,11-12,15,19,24H,9-10H2,1-3H3 |
| InChIKey |
UJSKUDDDPKGBJY-UHFFFAOYSA-N |
| Ionization Type |
Chemical Ionization (CI) |
| Molecular Weight |
357.414 g/mol |
| Nominal Mass |
357 u |
| Reagent Gas |
Methane |
| Retention Index |
3018 |
| SMILES |
OC(C(NCCN1C2=C(N(C(N(C2=O)C)=O)C)N=C1)C)C=1C=CC=CC1 |
| SPLASH |
splash10-0a4i-0229000000-9921d1c2cbcb7a5b9df2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
7-[2-[(1-Hydroxy-1-phenyl-propan-2-yl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000404 |
