CID 490868

1-cyclohexyl-2-(3-furyl)-n-[(1s)-2-(4-hydroxyphenyl)-1-phenyl-ethyl]benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C32H31N3O3
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C5=CC=CC=C5)N=C2C6=COC=C6
InChI
InChI=1S/C32H31N3O3/c36-27-14-11-22(12-15-27)19-28(23-7-3-1-4-8-23)34-32(37)24-13-16-30-29(20-24)33-31(25-17-18-38-21-25)35(30)26-9-5-2-6-10-26/h1,3-4,7-8,11-18,20-21,26,28,36H,2,5-6,9-10,19H2,(H,34,37)/t28-/m0/s1
InChIKey
SOAMVEYIXHHEQK-NDEPHWFRSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[(1S)-2-(4-hydroxyphenyl)-1-phenylethyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

505.23654 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.24382 218.7
[M+Na]+ 528.22576 221.2
[M-H]- 504.22926 231.6
[M+NH4]+ 523.27036 222.9
[M+K]+ 544.19970 215.3
[M+H-H2O]+ 488.23380 207.0
[M+HCOO]- 550.23474 233.4
[M+CH3COO]- 564.25039 224.8
[M+Na-2H]- 526.21121 214.9
[M]+ 505.23599 216.3
[M]- 505.23709 216.3
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

patents stripe