CID 490915

1-cyclohexyl-n-[(1s)-2-hydroxy-1-phenyl-ethyl]-2-(2-pyridyl)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C27H28N4O2
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@H](CO)C4=CC=CC=C4)N=C2C5=CC=CC=N5
InChI
InChI=1S/C27H28N4O2/c32-18-24(19-9-3-1-4-10-19)30-27(33)20-14-15-25-23(17-20)29-26(22-13-7-8-16-28-22)31(25)21-11-5-2-6-12-21/h1,3-4,7-10,13-17,21,24,32H,2,5-6,11-12,18H2,(H,30,33)/t24-/m1/s1
InChIKey
XNAQTJJZJJJFII-XMMPIXPASA-N
Compound name
1-cyclohexyl-N-[(1S)-2-hydroxy-1-phenylethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.22122 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.228496 204.6
[M+Na]+ 463.210438 207.5
[M-H]- 439.213944 211.9
[M+NH4]+ 458.255043 209.9
[M+K]+ 479.184378 200.0
[M+H-H2O]+ 423.218480 191.7
[M+HCOO]- 485.219421 218.4
[M+CH3COO]- 499.235071 210.6
[M+Na-2H]- 461.195886 204.9
[M]+ 440.22067142 200.3
[M]- 440.22176858 200.3
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.