CID 3054018
19-methylstrychnidin-19-ium chloride
Structural Information
- Molecular Formula
- C22H27N2O
- SMILES
- C[N+]12CCC34[C@@H]1C[C@@H]5[C@@H]6[C@@H]3N(CC[C@@H]6OCC=C5C2)C7=CC=CC=C47
- InChI
- InChI=1S/C22H27N2O/c1-24-10-8-22-16-4-2-3-5-17(16)23-9-6-18-20(21(22)23)15(12-19(22)24)14(13-24)7-11-25-18/h2-5,7,15,18-21H,6,8-13H2,1H3/q+1/t15-,18-,19-,20-,21-,22?,24?/m0/s1
- InChIKey
- BZGWGKMQVJRSHS-LGPHHKQWSA-N
- Compound name
- (4aR,5aS,13aS,15aS,15bR)-6-methyl-2,4a,5,5a,7,8,13a,14,15,15a,15b,16-dodecahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 336.21962 | 176.4 |
[M+Na]+ | 358.20156 | 182.2 |
[M-H]- | 334.20506 | 180.2 |
[M+NH4]+ | 353.24616 | 198.1 |
[M+K]+ | 374.17550 | 169.3 |
[M+H-H2O]+ | 318.20960 | 168.5 |
[M+HCOO]- | 380.21054 | 180.2 |
[M+CH3COO]- | 394.22619 | 183.9 |
[M+Na-2H]- | 356.18701 | 180.5 |
[M]+ | 335.21179 | 171.0 |
[M]- | 335.21289 | 171.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.