CID 490733

1-cyclohexyl-2-(3-furyl)-n-[(1s)-2-hydroxy-1-phenyl-ethyl]benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C26H27N3O3
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@H](CO)C4=CC=CC=C4)N=C2C5=COC=C5
InChI
InChI=1S/C26H27N3O3/c30-16-23(18-7-3-1-4-8-18)28-26(31)19-11-12-24-22(15-19)27-25(20-13-14-32-17-20)29(24)21-9-5-2-6-10-21/h1,3-4,7-8,11-15,17,21,23,30H,2,5-6,9-10,16H2,(H,28,31)/t23-/m1/s1
InChIKey
PPQSTQAWTVLCJK-HSZRJFAPSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.20523 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.21251 200.4
[M+Na]+ 452.19445 203.7
[M-H]- 428.19795 210.6
[M+NH4]+ 447.23905 208.3
[M+K]+ 468.16839 199.0
[M+H-H2O]+ 412.20249 190.0
[M+HCOO]- 474.20343 216.3
[M+CH3COO]- 488.21908 208.0
[M+Na-2H]- 450.17990 198.4
[M]+ 429.20468 198.5
[M]- 429.20578 198.5
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.