CID 13227295

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

Structural Information

Molecular Formula
C30H22N4O2
SMILES
COC1=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/C30H22N4O2/c1-36-22-17-15-20(16-18-22)19-26-30(35)34(29(33-26)21-9-3-2-4-10-21)27-14-8-5-11-23(27)28-31-24-12-6-7-13-25(24)32-28/h2-19H,1H3,(H,31,32)/b26-19-
InChIKey
MTKQWPJCHVBDEX-XHPQRKPJSA-N
Compound name
(5Z)-3-[2-(1H-benzimidazol-2-yl)phenyl]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.1743 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.18158 217.3
[M+Na]+ 493.16352 236.1
[M+NH4]+ 488.20812 223.8
[M+K]+ 509.13746 229.3
[M-H]- 469.16702 225.8
[M+Na-2H]- 491.14897 229.0
[M]+ 470.17375 222.6
[M]- 470.17485 222.6
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.