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

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

ID: Reference11873

Other Names: NAT31-470393

Formula: C20H21N3O2

Spectral Data

4-{[(3S)-3-(1-Methyl-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 560
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2022 8:07:15 AM
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Identificators

InChI InChI=1S/C20H21N3O2/c1-22-18-5-3-2-4-17(18)21-19(22)16-10-11-23(13-16)12-14-6-8-15(9-7-14)20(24)25/h2-9,16H,10-13H2,1H3,(H,24,25)/t16-/m0/s1
InChI Key LSWGZKHENBSJLO-INIZCTEOSA-N
Canonical SMILES CN1C2=CC=CC=C2N=C1C3CCN(C3)CC4=CC=C(C=C4)C(=O)O
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Other Names NAT31-470393

In Other Databases

ChemSpider 29850806
PubChem 51137880