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]+ 441.22850 204.6
[M+Na]+ 463.21044 207.5
[M-H]- 439.21394 211.9
[M+NH4]+ 458.25504 209.9
[M+K]+ 479.18438 200.0
[M+H-H2O]+ 423.21848 191.7
[M+HCOO]- 485.21942 218.4
[M+CH3COO]- 499.23507 210.6
[M+Na-2H]- 461.19589 204.9
[M]+ 440.22067 200.3
[M]- 440.22177 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.