CID 491214

1-cyclohexyl-n-[(3,4-dimethoxyphenyl)methyl]-2-(3-furyl)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C27H29N3O4
SMILES
COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5)OC
InChI
InChI=1S/C27H29N3O4/c1-32-24-11-8-18(14-25(24)33-2)16-28-27(31)19-9-10-23-22(15-19)29-26(20-12-13-34-17-20)30(23)21-6-4-3-5-7-21/h8-15,17,21H,3-7,16H2,1-2H3,(H,28,31)
InChIKey
IBDNXVPZVKZPIW-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(furan-3-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.21582 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.22310 209.8
[M+Na]+ 482.20504 214.9
[M-H]- 458.20854 221.7
[M+NH4]+ 477.24964 217.6
[M+K]+ 498.17898 210.9
[M+H-H2O]+ 442.21308 199.0
[M+HCOO]- 504.21402 227.8
[M+CH3COO]- 518.22967 218.1
[M+Na-2H]- 480.19049 207.3
[M]+ 459.21527 212.5
[M]- 459.21637 212.5
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.