CID 6913046
Ethylapoquinine dihydrochloride
Structural Information
- Molecular Formula
- C21H26N2O2
- SMILES
- CCC(C1CC\2CCN1C/C2=C/C)(C3=C4C=C(C=CC4=NC=C3)O)O
- InChI
- InChI=1S/C21H26N2O2/c1-3-14-13-23-10-8-15(14)11-20(23)21(25,4-2)18-7-9-22-19-6-5-16(24)12-17(18)19/h3,5-7,9,12,15,20,24-25H,4,8,10-11,13H2,1-2H3/b14-3-
- InChIKey
- JPYXNAYXYRXOCI-BNNQUZSASA-N
- Compound name
- 4-[1-[(5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-1-hydroxypropyl]quinolin-6-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 339.20671 | 184.3 |
[M+Na]+ | 361.18865 | 187.3 |
[M-H]- | 337.19215 | 179.1 |
[M+NH4]+ | 356.23325 | 198.9 |
[M+K]+ | 377.16259 | 181.3 |
[M+H-H2O]+ | 321.19669 | 175.9 |
[M+HCOO]- | 383.19763 | 186.3 |
[M+CH3COO]- | 397.21328 | 189.8 |
[M+Na-2H]- | 359.17410 | 192.3 |
[M]+ | 338.19888 | 183.5 |
[M]- | 338.19998 | 183.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.