CID 6483207

[1,1'-biphenyl]-4-carboxylic acid, 2-[[4-[1-cyclohexyl-5-(1h-tetrazol-5-yl)-1h-benzimidazol-2-yl]phenoxy]methyl]-3'-hydroxy-

Structural Information

Molecular Formula
C34H30N6O4
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)O
InChI
InChI=1S/C34H30N6O4/c41-27-8-4-5-22(18-27)29-15-11-24(34(42)43)17-25(29)20-44-28-13-9-21(10-14-28)33-35-30-19-23(32-36-38-39-37-32)12-16-31(30)40(33)26-6-2-1-3-7-26/h4-5,8-19,26,41H,1-3,6-7,20H2,(H,42,43)(H,36,37,38,39)
InChIKey
OWEGPHAFJBAQBS-UHFFFAOYSA-N
Compound name
3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.23285 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.24013 231.7
[M+Na]+ 609.22207 235.7
[M-H]- 585.22557 240.8
[M+NH4]+ 604.26667 227.3
[M+K]+ 625.19601 226.3
[M+H-H2O]+ 569.23011 216.9
[M+HCOO]- 631.23105 238.9
[M+CH3COO]- 645.24670 234.6
[M+Na-2H]- 607.20752 226.7
[M]+ 586.23230 228.6
[M]- 586.23340 228.6
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.