CID 3046600

62467-78-1

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CC(C1=CC2=C(C=C1)N=C(N2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H14N2O2/c1-10(16(19)20)12-7-8-13-14(9-12)18-15(17-13)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)(H,19,20)

InChIKey

WGGXSKAZWUWVIB-UHFFFAOYSA-N

Compound name

2-(2-phenyl-3H-benzimidazol-5-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.10553 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.112806	160.1
[M+Na]+	289.094748	168.6
[M-H]-	265.098254	163.2
[M+NH4]+	284.139353	175.1
[M+K]+	305.068688	163.0
[M+H-H2O]+	249.102790	152.1
[M+HCOO]-	311.103731	178.7
[M+CH3COO]-	325.119381	171.3
[M+Na-2H]-	287.080196	163.8
[M]+	266.10498142	159.9
[M]-	266.10607858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.