CID 6448175

4h-imidazol-4-one, 3,5-dihydro-3-(2-methoxy-4-nitrophenyl)-5-((4-nitrophenyl)methylene)-2-phenyl-

Structural Information

Molecular Formula
C23H16N4O6
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=N/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C2=O)C4=CC=CC=C4
InChI
InChI=1S/C23H16N4O6/c1-33-21-14-18(27(31)32)11-12-20(21)25-22(16-5-3-2-4-6-16)24-19(23(25)28)13-15-7-9-17(10-8-15)26(29)30/h2-14H,1H3/b19-13-
InChIKey
VSHHLBMBYODNQK-UYRXBGFRSA-N
Compound name
(5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.107 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.11428 207.1
[M+Na]+ 467.09622 210.5
[M-H]- 443.09972 217.5
[M+NH4]+ 462.14082 211.7
[M+K]+ 483.07016 197.0
[M+H-H2O]+ 427.10426 203.3
[M+HCOO]- 489.10520 228.3
[M+CH3COO]- 503.12085 218.5
[M+Na-2H]- 465.08167 211.4
[M]+ 444.10645 203.7
[M]- 444.10755 203.7
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.