CID 6483252

[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-methyl-

Structural Information

Molecular Formula
C35H31ClFN7O2
SMILES
CNC(=O)C1=CC(=C(C=C1)C2=CC(=C(C=C2)F)Cl)COC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C7=NNN=N7
InChI
InChI=1S/C35H31ClFN7O2/c1-38-35(45)24-9-14-28(22-10-15-30(37)29(36)18-22)25(17-24)20-46-27-12-7-21(8-13-27)34-39-31-19-23(33-40-42-43-41-33)11-16-32(31)44(34)26-5-3-2-4-6-26/h7-19,26H,2-6,20H2,1H3,(H,38,45)(H,40,41,42,43)
InChIKey
SPHHNMFRFDVIPX-UHFFFAOYSA-N
Compound name
4-(3-chloro-4-fluorophenyl)-3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

635.2212 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.22848 245.1
[M+Na]+ 658.21042 251.0
[M-H]- 634.21392 254.8
[M+NH4]+ 653.25502 241.1
[M+K]+ 674.18436 239.8
[M+H-H2O]+ 618.21846 227.9
[M+HCOO]- 680.21940 249.9
[M+CH3COO]- 694.23505 247.8
[M+Na-2H]- 656.19587 238.9
[M]+ 635.22065 244.6
[M]- 635.22175 244.6
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.