CID 169501779
Lercanidipine metabolite pa3
Structural Information
- Molecular Formula
- C20H24N2O5
- SMILES
- CC1=C(C(=C(C(=N1)C)C(=O)OC(C)(C)CO)C2=CC(=CC=C2)N)C(=O)OC
- InChI
- InChI=1S/C20H24N2O5/c1-11-15(18(24)26-5)17(13-7-6-8-14(21)9-13)16(12(2)22-11)19(25)27-20(3,4)10-23/h6-9,23H,10,21H2,1-5H3
- InChIKey
- ACRYXZWXQNFQDQ-UHFFFAOYSA-N
- Compound name
- 3-O-(1-hydroxy-2-methylpropan-2-yl) 5-O-methyl 4-(3-aminophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 373.17580 | 189.0 |
[M+Na]+ | 395.15774 | 196.0 |
[M-H]- | 371.16124 | 193.4 |
[M+NH4]+ | 390.20234 | 199.1 |
[M+K]+ | 411.13168 | 193.5 |
[M+H-H2O]+ | 355.16578 | 180.7 |
[M+HCOO]- | 417.16672 | 206.6 |
[M+CH3COO]- | 431.18237 | 220.7 |
[M+Na-2H]- | 393.14319 | 188.3 |
[M]+ | 372.16797 | 193.0 |
[M]- | 372.16907 | 193.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.