CID 6434045
Brn 1550775
Structural Information
- Molecular Formula
- C18H11ClN2O4
- SMILES
- C1=CC(=CC(=C1)Cl)/C=C/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
- InChI
- InChI=1S/C18H11ClN2O4/c19-14-5-1-3-12(11-14)6-9-16(22)25-18-15(21(23)24)8-7-13-4-2-10-20-17(13)18/h1-11H/b9-6+
- InChIKey
- UUUZWECBJAJFFW-RMKNXTFCSA-N
- Compound name
- (7-nitroquinolin-8-yl) (E)-3-(3-chlorophenyl)prop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 355.04802 | 179.4 |
[M+Na]+ | 377.02996 | 186.7 |
[M-H]- | 353.03346 | 185.3 |
[M+NH4]+ | 372.07456 | 191.3 |
[M+K]+ | 393.00390 | 176.8 |
[M+H-H2O]+ | 337.03800 | 175.1 |
[M+HCOO]- | 399.03894 | 196.7 |
[M+CH3COO]- | 413.05459 | 204.8 |
[M+Na-2H]- | 375.01541 | 185.9 |
[M]+ | 354.04019 | 181.7 |
[M]- | 354.04129 | 181.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.