CID 491099

390815-08-4

Structural Information

Molecular Formula

C₂₀H₂₀N₂O₂

SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O2/c23-20(24)15-11-12-18-17(13-15)21-19(14-7-3-1-4-8-14)22(18)16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,23,24)

InChIKey

DIHHAPXAXYGMEH-UHFFFAOYSA-N

Compound name

1-cyclohexyl-2-phenylbenzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 320.15247 Da
Monoisotopic Mass: 4.3
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]+	321.15975	175.5
[M+Na]+	343.14169	182.0
[M-H]-	319.14519	181.9
[M+NH4]+	338.18629	188.4
[M+K]+	359.11563	175.7
[M+H-H2O]+	303.14973	165.5
[M+HCOO]-	365.15067	192.1
[M+CH3COO]-	379.16632	185.2
[M+Na-2H]-	341.12714	177.0
[M]+	320.15192	172.4
[M]-	320.15302	172.4

Literature stripe

literature stripe

Patent stripe

patents stripe