UR-144 5-pentanoic acid metabolite
4930
Reference
UR-144 5-pentanoic acid metabolite Structure
Systematic / IUPAC Name: 5-{3-[(2,2,3,3-Tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl}pentanoic acid
ID: Reference4930
Other Names:
UR-144 N-Pentanoic acid metabolite;
1H-Indole-1-pentanoic acid, 3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-
Formula: C21H27NO3
Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs
Spectral Data
UR-144 5-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 | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 236 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 5/31/2016 9:03:29 AM |
Identificators
| InChI | InChI=1S/C21H27NO3/c1-20(2)19(21(20,3)4)18(25)15-13-22(12-8-7-11-17(23)24)16-10-6-5-9-14(15)16/h5-6,9-10,13,19H,7-8,11-12H2,1-4H3,(H,23,24) |
| InChI Key | UUTHIAPDCFFQKQ-UHFFFAOYSA-N |
| Canonical SMILES | CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCCC(=O)O)C |
| CAS | 1451369337 |
| Splash | |
| Other Names |
UR-144 N-Pentanoic acid metabolite; 1H-Indole-1-pentanoic acid, 3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]- |