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 204.0
[M+Na]+ 452.12170 210.0
[M-H]- 428.12520 214.8
[M+NH4]+ 447.16630 210.8
[M+K]+ 468.09564 200.2
[M+H-H2O]+ 412.12974 196.2
[M+HCOO]- 474.13068 225.3
[M+CH3COO]- 488.14633 221.9
[M+Na-2H]- 450.10715 205.5
[M]+ 429.13193 204.4
[M]- 429.13303 204.4
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.