CID 13227298

4h-imidazol-4-one, 3,5-dihydro-3-(3-(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(=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C30H22N4O2/c1-36-24-16-14-20(15-17-24)18-27-30(35)34(29(33-27)21-8-3-2-4-9-21)23-11-7-10-22(19-23)28-31-25-12-5-6-13-26(25)32-28/h2-19H,1H3,(H,31,32)/b27-18-
InChIKey
XKNBCLJJCCNQNI-IMRQLAEWSA-N
Compound name
(5Z)-3-[3-(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 215.7
[M+Na]+ 493.16352 224.6
[M-H]- 469.16702 227.2
[M+NH4]+ 488.20812 221.0
[M+K]+ 509.13746 214.3
[M+H-H2O]+ 453.17156 202.4
[M+HCOO]- 515.17250 232.7
[M+CH3COO]- 529.18815 223.4
[M+Na-2H]- 491.14897 213.4
[M]+ 470.17375 215.9
[M]- 470.17485 215.9
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.