CID 6435485

4h-imidazol-4-one, 3,5-dihydro-3-(2-(1h-benzimidazol-2-yl)phenyl)-5-((3,4-dimethoxyphenyl)methylene)-2-methyl-

Structural Information

Molecular Formula
C26H22N4O3
SMILES
CC1=N/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)N1C3=CC=CC=C3C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C26H22N4O3/c1-16-27-21(14-17-12-13-23(32-2)24(15-17)33-3)26(31)30(16)22-11-7-4-8-18(22)25-28-19-9-5-6-10-20(19)29-25/h4-15H,1-3H3,(H,28,29)/b21-14-
InChIKey
XDWUBOSHAITIIL-STZFKDTASA-N
Compound name
(5Z)-3-[2-(1H-benzimidazol-2-yl)phenyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.1692 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17648 208.8
[M+Na]+ 461.15842 225.7
[M+NH4]+ 456.20302 214.5
[M+K]+ 477.13236 220.9
[M-H]- 437.16192 214.5
[M+Na-2H]- 459.14387 217.3
[M]+ 438.16865 212.9
[M]- 438.16975 212.9
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.