CID 70857
3,5-dicarbethoxy-2,6-dimethyl-4-ethyl-1,4-dihydropyridine
Structural Information
- Molecular Formula
- C15H23NO4
- SMILES
- CCC1C(=C(NC(=C1C(=O)OCC)C)C)C(=O)OCC
- InChI
- InChI=1S/C15H23NO4/c1-6-11-12(14(17)19-7-2)9(4)16-10(5)13(11)15(18)20-8-3/h11,16H,6-8H2,1-5H3
- InChIKey
- PIHXXQOZBCWXOB-UHFFFAOYSA-N
- Compound name
- diethyl 4-ethyl-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]+ | 282.17000 | 165.6 |
[M+Na]+ | 304.15194 | 172.7 |
[M-H]- | 280.15544 | 166.6 |
[M+NH4]+ | 299.19654 | 180.4 |
[M+K]+ | 320.12588 | 170.7 |
[M+H-H2O]+ | 264.15998 | 159.0 |
[M+HCOO]- | 326.16092 | 183.2 |
[M+CH3COO]- | 340.17657 | 201.5 |
[M+Na-2H]- | 302.13739 | 164.2 |
[M]+ | 281.16217 | 169.5 |
[M]- | 281.16327 | 169.5 |