CID 4153580
Sempervirine methochloride
Structural Information
- Molecular Formula
- C20H19N2
- SMILES
- CN1C2=CC=CC=C2C3=C1C4=[N+](C=C3)C=C5CCCCC5=C4
- InChI
- InChI=1S/C20H19N2/c1-21-18-9-5-4-8-16(18)17-10-11-22-13-15-7-3-2-6-14(15)12-19(22)20(17)21/h4-5,8-13H,2-3,6-7H2,1H3/q+1
- InChIKey
- UJQOGTHAIFLQFL-UHFFFAOYSA-N
- Compound name
- 3-methyl-16,17,18,19-tetrahydroyohimban-13-ium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 288.16210 | 169.3 |
[M+Na]+ | 310.14404 | 180.1 |
[M-H]- | 286.14754 | 174.6 |
[M+NH4]+ | 305.18864 | 187.8 |
[M+K]+ | 326.11798 | 166.9 |
[M+H-H2O]+ | 270.15208 | 162.2 |
[M+HCOO]- | 332.15302 | 186.5 |
[M+CH3COO]- | 346.16867 | 180.6 |
[M+Na-2H]- | 308.12949 | 178.9 |
[M]+ | 287.15427 | 169.6 |
[M]- | 287.15537 | 169.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.