CID 3086946
Brn 5157143
Structural Information
- Molecular Formula
- C21H14ClFN2O4
- SMILES
- COC1=C(C(=O)N2C3=C(C=C(C=C3)Cl)C(=NC2=C1)C4=CC=CC=C4F)C(=O)OC
- InChI
- InChI=1S/C21H14ClFN2O4/c1-28-16-10-17-24-19(12-5-3-4-6-14(12)23)13-9-11(22)7-8-15(13)25(17)20(26)18(16)21(27)29-2/h3-10H,1-2H3
- InChIKey
- HVTDWJLPSPRRNR-UHFFFAOYSA-N
- Compound name
- methyl 8-chloro-6-(2-fluorophenyl)-3-methoxy-1-oxopyrido[1,2-a]quinazoline-2-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 413.06990 | 193.4 |
[M+Na]+ | 435.05184 | 207.1 |
[M-H]- | 411.05534 | 199.3 |
[M+NH4]+ | 430.09644 | 204.5 |
[M+K]+ | 451.02578 | 200.3 |
[M+H-H2O]+ | 395.05988 | 182.2 |
[M+HCOO]- | 457.06082 | 207.4 |
[M+CH3COO]- | 471.07647 | 204.1 |
[M+Na-2H]- | 433.03729 | 197.5 |
[M]+ | 412.06207 | 202.1 |
[M]- | 412.06317 | 202.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.