CID 6448178

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

Structural Information

Molecular Formula
C25H20N4O8
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=N/C(=C\C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)/C2=O)C4=CC=CC=C4
InChI
InChI=1S/C25H20N4O8/c1-35-21-13-17(28(31)32)9-10-19(21)27-24(15-7-5-4-6-8-15)26-18(25(27)30)11-16-12-22(36-2)23(37-3)14-20(16)29(33)34/h4-14H,1-3H3/b18-11-
InChIKey
UUTJUKNOCMWCJJ-WQRHYEAKSA-N
Compound name
(5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-(2-methoxy-4-nitrophenyl)-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.1281 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.13538 221.8
[M+Na]+ 527.11732 224.9
[M-H]- 503.12082 232.5
[M+NH4]+ 522.16192 224.1
[M+K]+ 543.09126 212.8
[M+H-H2O]+ 487.12536 217.5
[M+HCOO]- 549.12630 242.2
[M+CH3COO]- 563.14195 230.7
[M+Na-2H]- 525.10277 224.9
[M]+ 504.12755 222.0
[M]- 504.12865 222.0
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.