CID 6447592

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

Structural Information

Molecular Formula
C19H17N3O5
SMILES
CC1=N/C(=C\C2=CC=CC=C2OC)/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C19H17N3O5/c1-12-20-15(10-13-6-4-5-7-17(13)26-2)19(23)21(12)16-9-8-14(22(24)25)11-18(16)27-3/h4-11H,1-3H3/b15-10-
InChIKey
ZAGWXBJBFRKRIK-GDNBJRDFSA-N
Compound name
(5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.11682 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12410 186.0
[M+Na]+ 390.10604 193.8
[M-H]- 366.10954 194.3
[M+NH4]+ 385.15064 196.5
[M+K]+ 406.07998 185.3
[M+H-H2O]+ 350.11408 180.5
[M+HCOO]- 412.11502 208.3
[M+CH3COO]- 426.13067 210.8
[M+Na-2H]- 388.09149 188.2
[M]+ 367.11627 187.8
[M]- 367.11737 187.8
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.