CID 6435487

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

Structural Information

Molecular Formula
C25H20N4O2
SMILES
CC1=N/C(=C\C2=CC=C(C=C2)OC)/C(=O)N1C3=CC=CC(=C3)C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C25H20N4O2/c1-16-26-23(14-17-10-12-20(31-2)13-11-17)25(30)29(16)19-7-5-6-18(15-19)24-27-21-8-3-4-9-22(21)28-24/h3-15H,1-2H3,(H,27,28)/b23-14-
InChIKey
JTMSBKLGONEWIU-UCQKPKSFSA-N
Compound name
(5Z)-3-[3-(1H-benzimidazol-2-yl)phenyl]-5-[(4-methoxyphenyl)methylidene]-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.15863 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16591 200.6
[M+Na]+ 431.14785 210.9
[M-H]- 407.15135 209.5
[M+NH4]+ 426.19245 209.3
[M+K]+ 447.12179 201.8
[M+H-H2O]+ 391.15589 188.9
[M+HCOO]- 453.15683 218.5
[M+CH3COO]- 467.17248 209.8
[M+Na-2H]- 429.13330 198.9
[M]+ 408.15808 202.2
[M]- 408.15918 202.2
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.