4-({(3S)-3-[5-(Trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyrrolidinyl}methyl)benzoic acid
11023
Reference
4-({(3S)-3-[5-(Trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyrrolidinyl}methyl)benzoic acid Structure
Systematic / IUPAC Name: 4-[[(3S)-3-[6-(Trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methyl]benzoic acid
ID: Reference11023
Other Names: NAT31-457548
Formula: C20H18F3N3O2
Spectral Data
4-({(3S)-3-[5-(Trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyrrolidinyl}methyl)benzoic acid 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 Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1109 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/12/2021 11:40:37 AM |
Identificators
| InChI | InChI=1S/C20H18F3N3O2/c21-20(22,23)15-5-6-16-17(9-15)25-18(24-16)14-7-8-26(11-14)10-12-1-3-13(4-2-12)19(27)28/h1-6,9,14H,7-8,10-11H2,(H,24,25)(H,27,28)/t14-/m0/s1 |
| InChI Key | FLTUKLWFAMDSTP-AWEZNQCLSA-N |
| Canonical SMILES | C1CN(CC1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)CC4=CC=C(C=C4)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT31-457548 |