CID 6483264

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

Structural Information

Molecular Formula
C37H37N7O4
SMILES
CNC(=O)C1=CC(=C(C=C1)C2=CC(=C(C=C2)OC)OC)COC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C7=NNN=N7
InChI
InChI=1S/C37H37N7O4/c1-38-37(45)26-11-16-30(24-13-18-33(46-2)34(21-24)47-3)27(19-26)22-48-29-14-9-23(10-15-29)36-39-31-20-25(35-40-42-43-41-35)12-17-32(31)44(36)28-7-5-4-6-8-28/h9-21,28H,4-8,22H2,1-3H3,(H,38,45)(H,40,41,42,43)
InChIKey
LIQYXKDLVVJUER-UHFFFAOYSA-N
Compound name
3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3,4-dimethoxyphenyl)-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

643.2907 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.29798 246.9
[M+Na]+ 666.27992 250.2
[M-H]- 642.28342 258.2
[M+NH4]+ 661.32452 241.4
[M+K]+ 682.25386 241.8
[M+H-H2O]+ 626.28796 230.9
[M+HCOO]- 688.28890 256.7
[M+CH3COO]- 702.30455 249.5
[M+Na-2H]- 664.26537 241.6
[M]+ 643.29015 247.4
[M]- 643.29125 247.4
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.