PubChemLite - 1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid (C34H29F3N2O3)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=C(C=C4)OCC5=CC=CC=C5C6=CC=CC=C6)C(F)(F)F

InChI

InChI=1S/C34H29F3N2O3/c35-34(36,37)28-19-23(16-18-31(28)42-21-25-11-7-8-14-27(25)22-9-3-1-4-10-22)32-38-29-20-24(33(40)41)15-17-30(29)39(32)26-12-5-2-6-13-26/h1,3-4,7-11,14-20,26H,2,5-6,12-13,21H2,(H,40,41)

InChIKey

XFNPEVUZZMOAMT-UHFFFAOYSA-N

Compound name

1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid

Related CIDs

2D Structure

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]+	571.22028	240.0
[M+Na]+	593.20222	244.8
[M-H]-	569.20572	247.9
[M+NH4]+	588.24682	241.3
[M+K]+	609.17616	235.6
[M+H-H2O]+	553.21026	223.5
[M+HCOO]-	615.21120	248.4
[M+CH3COO]-	629.22685	243.7
[M+Na-2H]-	591.18767	235.4
[M]+	570.21245	234.8
[M]-	570.21355	234.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.22028

240.0

[M+Na]+

593.20222

244.8

[M-H]-

569.20572

247.9

[M+NH4]+

588.24682

241.3

[M+K]+

609.17616

235.6

[M+H-H2O]+

553.21026

223.5

[M+HCOO]-

615.21120

248.4

[M+CH3COO]-

629.22685

243.7

[M+Na-2H]-

591.18767

235.4

[M]+

570.21245

234.8

[M]-

570.21355

234.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-cyclohexyl-2-[4-[(2-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]benzimidazole-5-carboxylic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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