CID 55647
N-demethylencainide
Structural Information
- Molecular Formula
- C21H26N2O2
- SMILES
- COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2CCC3CCCCN3
- InChI
- InChI=1S/C21H26N2O2/c1-25-19-13-10-17(11-14-19)21(24)23-20-8-3-2-6-16(20)9-12-18-7-4-5-15-22-18/h2-3,6,8,10-11,13-14,18,22H,4-5,7,9,12,15H2,1H3,(H,23,24)
- InChIKey
- QLMVRMLCNYDKJN-UHFFFAOYSA-N
- Compound name
- 4-methoxy-N-[2-(2-piperidin-2-ylethyl)phenyl]benzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 339.20671 | 182.6 |
[M+Na]+ | 361.18865 | 184.7 |
[M-H]- | 337.19215 | 187.9 |
[M+NH4]+ | 356.23325 | 192.7 |
[M+K]+ | 377.16259 | 179.1 |
[M+H-H2O]+ | 321.19669 | 172.2 |
[M+HCOO]- | 383.19763 | 199.4 |
[M+CH3COO]- | 397.21328 | 210.9 |
[M+Na-2H]- | 359.17410 | 183.9 |
[M]+ | 338.19888 | 177.2 |
[M]- | 338.19998 | 177.2 |