CID 6447590

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

Structural Information

Molecular Formula
C18H14ClN3O4
SMILES
CC1=N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C18H14ClN3O4/c1-11-20-15(9-12-3-5-13(19)6-4-12)18(23)21(11)16-8-7-14(22(24)25)10-17(16)26-2/h3-10H,1-2H3/b15-9-
InChIKey
QFDJFNCYGKQHAZ-DHDCSXOGSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.0673 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.07458 187.1
[M+Na]+ 394.05652 195.9
[M-H]- 370.06002 195.0
[M+NH4]+ 389.10112 198.3
[M+K]+ 410.03046 185.7
[M+H-H2O]+ 354.06456 182.3
[M+HCOO]- 416.06550 204.8
[M+CH3COO]- 430.08115 209.3
[M+Na-2H]- 392.04197 188.7
[M]+ 371.06675 189.4
[M]- 371.06785 189.4
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.