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 223.3
[M+Na]+ 523.17406 232.2
[M-H]- 499.17756 235.0
[M+NH4]+ 518.21866 227.5
[M+K]+ 539.14800 222.6
[M+H-H2O]+ 483.18210 209.9
[M+HCOO]- 545.18304 239.9
[M+CH3COO]- 559.19869 230.6
[M+Na-2H]- 521.15951 219.9
[M]+ 500.18429 225.5
[M]- 500.18539 225.5
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.