CID 490751

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

Structural Information

Molecular Formula
C26H27N3O3
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)O)N=C2C5=COC=C5
InChI
InChI=1S/C26H27N3O3/c30-22-9-6-18(7-10-22)12-14-27-26(31)19-8-11-24-23(16-19)28-25(20-13-15-32-17-20)29(24)21-4-2-1-3-5-21/h6-11,13,15-17,21,30H,1-5,12,14H2,(H,27,31)
InChIKey
VDXLUEVBBCHGDP-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.20523 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.21251 201.3
[M+Na]+ 452.19445 206.0
[M-H]- 428.19795 211.8
[M+NH4]+ 447.23905 209.7
[M+K]+ 468.16839 200.6
[M+H-H2O]+ 412.20249 191.0
[M+HCOO]- 474.20343 218.2
[M+CH3COO]- 488.21908 209.4
[M+Na-2H]- 450.17990 199.6
[M]+ 429.20468 200.4
[M]- 429.20578 200.4
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.