CID 24212871
853333-74-1
Structural Information
- Molecular Formula
- C20H23BrN2O3
- SMILES
- CCOC(=O)C1=C(NC2=C(C1C3=C(C=NC=C3)Br)C(=O)CC(C2)(C)C)C
- InChI
- InChI=1S/C20H23BrN2O3/c1-5-26-19(25)16-11(2)23-14-8-20(3,4)9-15(24)18(14)17(16)12-6-7-22-10-13(12)21/h6-7,10,17,23H,5,8-9H2,1-4H3
- InChIKey
- FKHZPEZWYAHEQO-UHFFFAOYSA-N
- Compound name
- ethyl 4-(3-bromopyridin-4-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 419.09648 | 189.8 |
[M+Na]+ | 441.07842 | 200.3 |
[M-H]- | 417.08192 | 195.7 |
[M+NH4]+ | 436.12302 | 204.1 |
[M+K]+ | 457.05236 | 187.8 |
[M+H-H2O]+ | 401.08646 | 187.8 |
[M+HCOO]- | 463.08740 | 201.2 |
[M+CH3COO]- | 477.10305 | 220.9 |
[M+Na-2H]- | 439.06387 | 191.4 |
[M]+ | 418.08865 | 208.2 |
[M]- | 418.08975 | 208.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.