CID 13227296

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

Structural Information

Molecular Formula
C31H24N4O3
SMILES
COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4C5=NC6=CC=CC=C6N5)OC
InChI
InChI=1S/C31H24N4O3/c1-37-27-17-16-20(19-28(27)38-2)18-25-31(36)35(30(34-25)21-10-4-3-5-11-21)26-15-9-6-12-22(26)29-32-23-13-7-8-14-24(23)33-29/h3-19H,1-2H3,(H,32,33)/b25-18-
InChIKey
GUPSYMUMDBZCCE-BWAHOGKJSA-N
Compound name
(5Z)-3-[2-(1H-benzimidazol-2-yl)phenyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.18484 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.19212 225.3
[M+Na]+ 523.17406 243.8
[M+NH4]+ 518.21866 231.2
[M+K]+ 539.14800 237.4
[M-H]- 499.17756 233.5
[M+Na-2H]- 521.15951 236.1
[M]+ 500.18429 230.5
[M]- 500.18539 230.5
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.