| SpectraBase Spectrum ID |
JIxYjydkg2S |
| Name |
AB-CHMFUPPYCA |
| CAS Registry Number |
1870799-78-2 |
| Classification |
Pyrazolcarboxamide cannabinoid designer drug |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
400.227454351 u |
| Formula |
C22H29FN4O2 |
| InChI |
InChI=1S/C22H29FN4O2/c1-14(2)20(21(24)28)25-22(29)19-12-18(16-8-10-17(23)11-9-16)26-27(19)13-15-6-4-3-5-7-15/h8-12,14-15,20H,3-7,13H2,1-2H3,(H2,24,28)(H,25,29) |
| InChIKey |
NDYOOVJIZQTGHY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
400.498 g/mol |
| Nominal Mass |
400 u |
| Quality |
996 |
| Retention Index |
3157 |
| SMILES |
NC(C(NC(C=1N(N=C(C2=CC=C(C=C2)F)C1)CC1CCCCC1)=O)C(C)C)=O |
| SPLASH |
splash10-0a4i-6790000000-ca3b6da206a5372f5dc1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
AB-CHFUPYCA
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(methylcyclohexyl)-3-(4-fluorophenyl)-1H-pyrazole-5-\rcarboxamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032196 |
