CID 6448174

83495-05-0

Structural Information

Molecular Formula
C24H19N3O5
SMILES
COC1=CC=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
InChI
InChI=1S/C24H19N3O5/c1-31-19-11-8-16(9-12-19)14-20-24(28)26(23(25-20)17-6-4-3-5-7-17)21-13-10-18(27(29)30)15-22(21)32-2/h3-15H,1-2H3/b20-14-
InChIKey
UZYUPURYVKJYSV-ZHZULCJRSA-N
Compound name
(5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.13248 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.13976 202.4
[M+Na]+ 452.12170 218.6
[M+NH4]+ 447.16630 208.0
[M+K]+ 468.09564 215.0
[M-H]- 428.12520 209.9
[M+Na-2H]- 450.10715 211.7
[M]+ 429.13193 206.7
[M]- 429.13303 206.7
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.