CID 6435484

90660-80-3

Structural Information

Molecular Formula
C25H20N4O2
SMILES
CC1=N/C(=C\C2=CC=C(C=C2)OC)/C(=O)N1C3=CC=CC=C3C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C25H20N4O2/c1-16-26-22(15-17-11-13-18(31-2)14-12-17)25(30)29(16)23-10-6-3-7-19(23)24-27-20-8-4-5-9-21(20)28-24/h3-15H,1-2H3,(H,27,28)/b22-15-
InChIKey
YNUOSCGUSBGCFZ-JCMHNJIXSA-N
Compound name
(5Z)-3-[2-(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 200.7
[M+Na]+ 431.14785 217.9
[M+NH4]+ 426.19245 207.1
[M+K]+ 447.12179 212.6
[M-H]- 407.15135 206.7
[M+Na-2H]- 429.13330 210.1
[M]+ 408.15808 204.9
[M]- 408.15918 204.9
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.