CID 6483302

4-[2-[[4-[1-cyclohexyl-5-(1h-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzonitrile

Structural Information

Molecular Formula
C40H38N8O3
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)N7CCC(CC7)O)C8=CC=C(C=C8)C#N
InChI
InChI=1S/C40H38N8O3/c41-24-26-6-8-27(9-7-26)35-16-12-30(40(50)47-20-18-33(49)19-21-47)22-31(35)25-51-34-14-10-28(11-15-34)39-42-36-23-29(38-43-45-46-44-38)13-17-37(36)48(39)32-4-2-1-3-5-32/h6-17,22-23,32-33,49H,1-5,18-21,25H2,(H,43,44,45,46)
InChIKey
OUULKNGNRAUCRY-UHFFFAOYSA-N
Compound name
4-[2-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

678.3067 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.31398 243.3
[M+Na]+ 701.29592 246.4
[M-H]- 677.29942 247.1
[M+NH4]+ 696.34052 233.3
[M+K]+ 717.26986 231.6
[M+H-H2O]+ 661.30396 219.6
[M+HCOO]- 723.30490 242.2
[M+CH3COO]- 737.32055 241.2
[M+Na-2H]- 699.28137 234.0
[M]+ 678.30615 230.6
[M]- 678.30725 230.6
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.