CID 6447593

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

Structural Information

Molecular Formula
C19H17N3O5
SMILES
CC1=N/C(=C\C2=CC=C(C=C2)OC)/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C19H17N3O5/c1-12-20-16(10-13-4-7-15(26-2)8-5-13)19(23)21(12)17-9-6-14(22(24)25)11-18(17)27-3/h4-11H,1-3H3/b16-10-
InChIKey
XSBLKSDUIARIQJ-YBEGLDIGSA-N
Compound name
(5Z)-3-(2-methoxy-4-nitrophenyl)-5-[(4-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 185.2
[M+Na]+ 390.10604 199.8
[M+NH4]+ 385.15064 190.6
[M+K]+ 406.07998 197.7
[M-H]- 366.10954 190.0
[M+Na-2H]- 388.09149 191.8
[M]+ 367.11627 188.4
[M]- 367.11737 188.4
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.