CID 13227294

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

Structural Information

Molecular Formula
C29H20N4O
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C29H20N4O/c34-29-25(19-20-11-3-1-4-12-20)32-28(21-13-5-2-6-14-21)33(29)26-18-10-7-15-22(26)27-30-23-16-8-9-17-24(23)31-27/h1-19H,(H,30,31)/b25-19-
InChIKey
MTFFPUHRGGAIJD-PLRJNAJWSA-N
Compound name
(5Z)-3-[2-(1H-benzimidazol-2-yl)phenyl]-5-benzylidene-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1637 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.17098 207.9
[M+Na]+ 463.15292 216.8
[M-H]- 439.15642 219.0
[M+NH4]+ 458.19752 214.3
[M+K]+ 479.12686 205.8
[M+H-H2O]+ 423.16096 194.6
[M+HCOO]- 485.16190 225.1
[M+CH3COO]- 499.17755 215.9
[M+Na-2H]- 461.13837 206.7
[M]+ 440.16315 206.2
[M]- 440.16425 206.2
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.