CID 6448172

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

Structural Information

Molecular Formula
C23H16ClN3O4
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=N/C(=C\C3=CC=C(C=C3)Cl)/C2=O)C4=CC=CC=C4
InChI
InChI=1S/C23H16ClN3O4/c1-31-21-14-18(27(29)30)11-12-20(21)26-22(16-5-3-2-4-6-16)25-19(23(26)28)13-15-7-9-17(24)10-8-15/h2-14H,1H3/b19-13-
InChIKey
KSRPDGLUELKZRH-UYRXBGFRSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methoxy-4-nitrophenyl)-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.08295 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.09023 205.4
[M+Na]+ 456.07217 212.6
[M-H]- 432.07567 215.8
[M+NH4]+ 451.11677 213.1
[M+K]+ 472.04611 201.2
[M+H-H2O]+ 416.08021 198.3
[M+HCOO]- 478.08115 222.2
[M+CH3COO]- 492.09680 220.3
[M+Na-2H]- 454.05762 206.3
[M]+ 433.08240 206.7
[M]- 433.08350 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.