CID 56108
Oxodipine
Structural Information
- Molecular Formula
- C19H21NO6
- SMILES
- CCOC(=O)C1=C(NC(=C(C1C2=C3C(=CC=C2)OCO3)C(=O)OC)C)C
- InChI
- InChI=1S/C19H21NO6/c1-5-24-19(22)15-11(3)20-10(2)14(18(21)23-4)16(15)12-7-6-8-13-17(12)26-9-25-13/h6-8,16,20H,5,9H2,1-4H3
- InChIKey
- MSOAVHHAZCMHDI-UHFFFAOYSA-N
- Compound name
- 5-O-ethyl 3-O-methyl 4-(1,3-benzodioxol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 360.14418 | 184.3 |
[M+Na]+ | 382.12612 | 191.6 |
[M-H]- | 358.12962 | 190.9 |
[M+NH4]+ | 377.17072 | 195.3 |
[M+K]+ | 398.10006 | 191.1 |
[M+H-H2O]+ | 342.13416 | 177.0 |
[M+HCOO]- | 404.13510 | 199.4 |
[M+CH3COO]- | 418.15075 | 213.7 |
[M+Na-2H]- | 380.11157 | 183.6 |
[M]+ | 359.13635 | 189.6 |
[M]- | 359.13745 | 189.6 |