CID 6483223

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

Structural Information

Molecular Formula
C35H32ClN7O2
SMILES
CNC(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)COC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C7=NNN=N7
InChI
InChI=1S/C35H32ClN7O2/c1-37-35(44)25-11-17-30(22-7-13-27(36)14-8-22)26(19-25)21-45-29-15-9-23(10-16-29)34-38-31-20-24(33-39-41-42-40-33)12-18-32(31)43(34)28-5-3-2-4-6-28/h7-20,28H,2-6,21H2,1H3,(H,37,44)(H,39,40,41,42)
InChIKey
KGXWYSNKYRCWDM-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-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

617.2306 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.23788 240.7
[M+Na]+ 640.21982 245.7
[M-H]- 616.22332 251.3
[M+NH4]+ 635.26442 237.2
[M+K]+ 656.19376 235.0
[M+H-H2O]+ 600.22786 224.2
[M+HCOO]- 662.22880 246.6
[M+CH3COO]- 676.24445 243.7
[M+Na-2H]- 638.20527 235.8
[M]+ 617.23005 240.4
[M]- 617.23115 240.4
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.