| SpectraBase Spectrum ID |
B04t3TLYBSi |
| Name |
2-(((1-(5-Fluoropentyl)-1H-pyrrolo[5,4-b]pyridin-3-yl)carbonyl)amino)-3,3-dimethylbutanoic acid |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
363.195819869 u |
| Formula |
C19H26FN3O3 |
| InChI |
InChI=1S/C19H26FN3O3/c1-19(2,3)15(18(25)26)22-17(24)14-12-23(11-6-4-5-9-20)16-13(14)8-7-10-21-16/h7-8,10,12,15H,4-6,9,11H2,1-3H3,(H,22,24)(H,25,26) |
| InChIKey |
IONFTZRRFFXYIH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
363.433 g/mol |
| Nominal Mass |
363 u |
| Quality |
987 |
| Retention Index |
2830 |
| SMILES |
OC(C(NC(C=1C=2C(N(C1)CCCCCF)=NC=CC2)=O)C(C)(C)C)=O |
| SPLASH |
splash10-001s-1390000000-d842064f81564bc9ea43 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-F-MDMB-7-PAICA metabolite |
| Technique |
GC/MS |
| Wiley ID |
DD2024_029680 |
![2-(((1-(5-Fluoropentyl)-1H-pyrrolo[5,4-b]pyridin-3-yl)carbonyl)amino)-3,3-dimethylbutanoic acid](/api/spectrum/B04t3TLYBSi/structure.png?h=300&w=458 "2-(((1-(5-Fluoropentyl)-1H-pyrrolo[5,4-b]pyridin-3-yl)carbonyl)amino)-3,3-dimethylbutanoic acid")
