CID 6483209

[1,1'-biphenyl]-4-carboxylic acid, 2-[[4-[1-cyclohexyl-5-(1h-tetrazol-5-yl)-1h-benzimidazol-2-yl]phenoxy]methyl]-

Structural Information

Molecular Formula
C34H30N6O3
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C4=NNN=N4)N=C2C5=CC=C(C=C5)OCC6=C(C=CC(=C6)C(=O)O)C7=CC=CC=C7
InChI
InChI=1S/C34H30N6O3/c41-34(42)25-13-17-29(22-7-3-1-4-8-22)26(19-25)21-43-28-15-11-23(12-16-28)33-35-30-20-24(32-36-38-39-37-32)14-18-31(30)40(33)27-9-5-2-6-10-27/h1,3-4,7-8,11-20,27H,2,5-6,9-10,21H2,(H,41,42)(H,36,37,38,39)
InChIKey
ZGDWIAJSTVSQAE-UHFFFAOYSA-N
Compound name
3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-phenylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.2379 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.24518 229.9
[M+Na]+ 593.22712 233.9
[M-H]- 569.23062 239.5
[M+NH4]+ 588.27172 226.5
[M+K]+ 609.20106 224.0
[M+H-H2O]+ 553.23516 214.4
[M+HCOO]- 615.23610 238.2
[M+CH3COO]- 629.25175 233.1
[M+Na-2H]- 591.21257 225.3
[M]+ 570.23735 226.5
[M]- 570.23845 226.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.