CID 6448176

83495-07-2

Structural Information

Molecular Formula
C25H21N3O6
SMILES
COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)[N+](=O)[O-])OC)OC
InChI
InChI=1S/C25H21N3O6/c1-32-21-12-9-16(14-23(21)34-3)13-19-25(29)27(24(26-19)17-7-5-4-6-8-17)20-11-10-18(28(30)31)15-22(20)33-2/h4-15H,1-3H3/b19-13-
InChIKey
REEAHGKEXRBICL-UYRXBGFRSA-N
Compound name
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methoxy-4-nitrophenyl)-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.14304 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.15032 211.3
[M+Na]+ 482.13226 217.4
[M-H]- 458.13576 222.3
[M+NH4]+ 477.17686 217.1
[M+K]+ 498.10620 208.3
[M+H-H2O]+ 442.14030 203.4
[M+HCOO]- 504.14124 232.3
[M+CH3COO]- 518.15689 228.2
[M+Na-2H]- 480.11771 212.0
[M]+ 459.14249 213.8
[M]- 459.14359 213.8
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.