4-{[(3S)-3-(5-Fluoro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]methyl}benzoic acid

enlarge

Systematic / IUPAC Name: 4-[[(3S)-3-(6-Fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid

ID: Reference9661

Other Names: Benzoic acid, 4-[[(3S)-3-(5-fluoro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]methyl]-;
NAT31-457194

Formula: C19H18FN3O2

Spectral Data

4-{[(3S)-3-(5-Fluoro-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 1694
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2020 11:06:30 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H18FN3O2/c20-15-5-6-16-17(9-15)22-18(21-16)14-7-8-23(11-14)10-12-1-3-13(4-2-12)19(24)25/h1-6,9,14H,7-8,10-11H2,(H,21,22)(H,24,25)/t14-/m0/s1
InChI Key DQXUZCAJINFREY-AWEZNQCLSA-N
Canonical SMILES C1CN(CC1C2=NC3=C(N2)C=C(C=C3)F)CC4=CC=C(C=C4)C(=O)O
CAS
Splash
Other Names Benzoic acid, 4-[[(3S)-3-(5-fluoro-1H-benzimidazol-2-yl)-1-pyrrolidinyl]methyl]-;
NAT31-457194

In Other Databases

PubChem 45784228
ChemSpider 29850018