CID 490914

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

Structural Information

Molecular Formula
C33H32N4O2
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](C4=CC=CC=C4)[C@@H](C5=CC=CC=C5)O)N=C2C6=CC=CC=N6
InChI
InChI=1S/C33H32N4O2/c38-31(24-14-6-2-7-15-24)30(23-12-4-1-5-13-23)36-33(39)25-19-20-29-28(22-25)35-32(27-18-10-11-21-34-27)37(29)26-16-8-3-9-17-26/h1-2,4-7,10-15,18-22,26,30-31,38H,3,8-9,16-17H2,(H,36,39)/t30-,31+/m0/s1
InChIKey
GBBHEVLUXNOKGE-IOWSJCHKSA-N
Compound name
1-cyclohexyl-N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.2525 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.25978 220.9
[M+Na]+ 539.24172 221.5
[M-H]- 515.24522 230.4
[M+NH4]+ 534.28632 221.9
[M+K]+ 555.21566 213.4
[M+H-H2O]+ 499.24976 206.5
[M+HCOO]- 561.25070 232.4
[M+CH3COO]- 575.26635 224.9
[M+Na-2H]- 537.22717 219.6
[M]+ 516.25195 215.0
[M]- 516.25305 215.0
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.