CID 6435376

78311-94-1

Structural Information

Molecular Formula
C20H19N3O6
SMILES
CC1=N/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C20H19N3O6/c1-12-21-15(9-13-5-8-17(27-2)19(10-13)29-4)20(24)22(12)16-7-6-14(23(25)26)11-18(16)28-3/h5-11H,1-4H3/b15-9-
InChIKey
UFOQYZUERUNHCW-DHDCSXOGSA-N
Compound name
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.12738 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.13466 193.2
[M+Na]+ 420.11660 201.0
[M-H]- 396.12010 201.7
[M+NH4]+ 415.16120 202.5
[M+K]+ 436.09054 193.1
[M+H-H2O]+ 380.12464 187.5
[M+HCOO]- 442.12558 215.2
[M+CH3COO]- 456.14123 217.2
[M+Na-2H]- 418.10205 194.6
[M]+ 397.12683 197.0
[M]- 397.12793 197.0
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.