CID 1921689
355421-68-0
Structural Information
- Molecular Formula
- C23H15BrClNO2
- SMILES
- CC1=CC=CC=C1OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl
- InChI
- InChI=1S/C23H15BrClNO2/c1-14-4-2-3-5-22(14)28-23(27)19-13-21(15-6-9-17(25)10-7-15)26-20-11-8-16(24)12-18(19)20/h2-13H,1H3
- InChIKey
- VVWJSCGRQVQOLY-UHFFFAOYSA-N
- Compound name
- (2-methylphenyl) 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 452.00475 | 198.2 |
[M+Na]+ | 473.98669 | 210.5 |
[M-H]- | 449.99019 | 209.6 |
[M+NH4]+ | 469.03129 | 211.4 |
[M+K]+ | 489.96063 | 196.6 |
[M+H-H2O]+ | 433.99473 | 195.2 |
[M+HCOO]- | 495.99567 | 211.6 |
[M+CH3COO]- | 510.01132 | 210.0 |
[M+Na-2H]- | 471.97214 | 202.1 |
[M]+ | 450.99692 | 220.6 |
[M]- | 450.99802 | 220.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.