CID 6483254

[1,1'-biphenyl]-4-carboxamide, 3'-chloro-2-[[4-[1-cyclohexyl-5-(1h-tetrazol-5-yl)-1h-benzimidazol-2-yl]phenoxy]methyl]-4'-fluoro-n,n-bis(2-hydroxyethyl)-

Structural Information

Molecular Formula
C38H37ClFN7O4
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)N(CCO)CCO)C7=CC(=C(C=C7)F)Cl
InChI
InChI=1S/C38H37ClFN7O4/c39-32-21-25(9-14-33(32)40)31-13-8-27(38(50)46(16-18-48)17-19-49)20-28(31)23-51-30-11-6-24(7-12-30)37-41-34-22-26(36-42-44-45-43-36)10-15-35(34)47(37)29-4-2-1-3-5-29/h6-15,20-22,29,48-49H,1-5,16-19,23H2,(H,42,43,44,45)
InChIKey
LZWOXDZHXNZEOO-UHFFFAOYSA-N
Compound name
4-(3-chloro-4-fluorophenyl)-3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-N,N-bis(2-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

709.25793 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 710.26521 253.0
[M+Na]+ 732.24715 255.7
[M-H]- 708.25065 261.6
[M+NH4]+ 727.29175 245.3
[M+K]+ 748.22109 246.6
[M+H-H2O]+ 692.25519 236.5
[M+HCOO]- 754.25613 255.1
[M+CH3COO]- 768.27178 253.9
[M+Na-2H]- 730.23260 246.0
[M]+ 709.25738 254.0
[M]- 709.25848 254.0
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.