CID 205599
5,6,7,12-tetrahydro-6-((1-methyl-3-piperidyl)methyl)-dibenz(c,f)azocine dimaleate
Structural Information
- Molecular Formula
- C22H28N2
- SMILES
- CN1CCCC(C1)CN2CC3=CC=CC=C3CC4=CC=CC=C4C2
- InChI
- InChI=1S/C22H28N2/c1-23-12-6-7-18(14-23)15-24-16-21-10-4-2-8-19(21)13-20-9-3-5-11-22(20)17-24/h2-5,8-11,18H,6-7,12-17H2,1H3
- InChIKey
- FBCCJWSZBWEKPJ-UHFFFAOYSA-N
- Compound name
- 11-[(1-methylpiperidin-3-yl)methyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.23253 | 171.9 |
[M+Na]+ | 343.21447 | 175.3 |
[M-H]- | 319.21797 | 173.6 |
[M+NH4]+ | 338.25907 | 177.7 |
[M+K]+ | 359.18841 | 173.1 |
[M+H-H2O]+ | 303.22251 | 165.7 |
[M+HCOO]- | 365.22345 | 177.1 |
[M+CH3COO]- | 379.23910 | 174.5 |
[M+Na-2H]- | 341.19992 | 170.6 |
[M]+ | 320.22470 | 168.9 |
[M]- | 320.22580 | 168.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.