| SpectraBase Spectrum ID |
5Xww0XgkFJQ |
| Name |
N-((2S)-1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-7-bromo-1-(pent-4-en-1-yl)-1H-indazole-3-carboxamide |
| Classification |
Indazole cannabinoid designer drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
420.116089059 u |
| Formula |
C19H25BrN4O2 |
| InChI |
InChI=1S/C19H25BrN4O2/c1-5-6-7-11-24-15-12(9-8-10-13(15)20)14(23-24)18(26)22-16(17(21)25)19(2,3)4/h5,8-10,16H,1,6-7,11H2,2-4H3,(H2,21,25)(H,22,26)/t16-/m1/s1 |
| InChIKey |
XOFPTUPVJTYAQC-MRXNPFEDSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
421.339 g/mol |
| Nominal Mass |
420 u |
| Quality |
948 |
| Retention Index |
3150 |
| SMILES |
NC([C@@](NC(C=1C=2C(N(N1)CCCC=C)=C(C=CC2)Br)=O)(C(C)(C)C)[H])=O |
| SPLASH |
splash10-002f-3394000000-b319ac79da5aef17eee3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-((2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl)-7-bromo-1-(pent-4-en-1-yl)-1H-indazole-3-carboxamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033384 |
