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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.