CID 490730

N-benzyl-1-cyclohexyl-2-(3-furyl)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C25H25N3O2
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)N=C2C5=COC=C5
InChI
InChI=1S/C25H25N3O2/c29-25(26-16-18-7-3-1-4-8-18)19-11-12-23-22(15-19)27-24(20-13-14-30-17-20)28(23)21-9-5-2-6-10-21/h1,3-4,7-8,11-15,17,21H,2,5-6,9-10,16H2,(H,26,29)
InChIKey
ZQOUIQGXCIZDAW-UHFFFAOYSA-N
Compound name
N-benzyl-1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.19467 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20195 194.2
[M+Na]+ 422.18389 199.2
[M-H]- 398.18739 205.7
[M+NH4]+ 417.22849 204.3
[M+K]+ 438.15783 193.9
[M+H-H2O]+ 382.19193 183.5
[M+HCOO]- 444.19287 212.8
[M+CH3COO]- 458.20852 203.2
[M+Na-2H]- 420.16934 193.7
[M]+ 399.19412 192.9
[M]- 399.19522 192.9
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.