CID 6434047
Brn 1552531
Structural Information
- Molecular Formula
- C18H10Cl2N2O4
- SMILES
- C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])OC(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl)N=C1
- InChI
- InChI=1S/C18H10Cl2N2O4/c19-13-6-3-11(10-14(13)20)4-8-16(23)26-18-15(22(24)25)7-5-12-2-1-9-21-17(12)18/h1-10H/b8-4+
- InChIKey
- YTNGNUNLQXFJAN-XBXARRHUSA-N
- Compound name
- (7-nitroquinolin-8-yl) (E)-3-(3,4-dichlorophenyl)prop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 389.00905 | 185.6 |
[M+Na]+ | 410.99099 | 193.7 |
[M-H]- | 386.99449 | 190.8 |
[M+NH4]+ | 406.03559 | 196.8 |
[M+K]+ | 426.96493 | 183.3 |
[M+H-H2O]+ | 370.99903 | 182.2 |
[M+HCOO]- | 432.99997 | 197.7 |
[M+CH3COO]- | 447.01562 | 210.1 |
[M+Na-2H]- | 408.97644 | 190.4 |
[M]+ | 388.00122 | 189.7 |
[M]- | 388.00232 | 189.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.