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]+ 409.165906 200.6
[M+Na]+ 431.147848 210.9
[M-H]- 407.151354 209.5
[M+NH4]+ 426.192453 209.3
[M+K]+ 447.121788 201.8
[M+H-H2O]+ 391.155890 188.9
[M+HCOO]- 453.156831 218.5
[M+CH3COO]- 467.172481 209.8
[M+Na-2H]- 429.133296 198.9
[M]+ 408.15808142 202.2
[M]- 408.15917858 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.