ADBICA N-pentanoic acid metabolite
4951
Reference
ADBICA N-pentanoic acid metabolite Structure
Systematic / IUPAC Name: 5-{3-[(1-Amino-3,3-dimethyl-1-oxo-2-butanyl)carbamoyl]-1H-indol-1-yl}pentanoic acid
ID: Reference4951
Other Names: 1H-Indole-1-pentanoic acid, 3-({[1-(aminocarbonyl)-2,2-dimethylpropyl]amino}carbonyl)-
Formula: C20H27N3O4
Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs
Spectral Data
ADBICA N-pentanoic acid metabolite mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion with FAIMS ; Q Exactive Orbitrap |
| No. of Spectral Trees | 3 |
| No. of Spectra | 1032 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | ESI; NSI |
| Analyzers | FT |
| Last Modification | 1/8/2019 8:12:53 AM |
Identificators
| InChI | InChI=1S/C20H27N3O4/c1-20(2,3)17(18(21)26)22-19(27)14-12-23(11-7-6-10-16(24)25)15-9-5-4-8-13(14)15/h4-5,8-9,12,17H,6-7,10-11H2,1-3H3,(H2,21,26)(H,22,27)(H,24,25) |
| InChI Key | YFFKBKQHLMKTJY-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C)C(C(=O)N)NC(=O)C1=CN(C2=CC=CC=C21)CCCCC(=O)O |
| CAS | |
| Splash | |
| Other Names | 1H-Indole-1-pentanoic acid, 3-({[1-(aminocarbonyl)-2,2-dimethylpropyl]amino}carbonyl)- |