CID 23636978
Ajmalinium, n-methyl-, iodide
Structural Information
- Molecular Formula
- C21H29N2O2
- SMILES
- CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)C4O)C)O
- InChI
- InChI=1S/C21H29N2O2/c1-4-11-12-9-15-18-21(13-7-5-6-8-14(13)22(18)2)10-16(17(12)19(21)24)23(15,3)20(11)25/h5-8,11-12,15-20,24-25H,4,9-10H2,1-3H3/q+1/t11-,12?,15-,16-,17?,18-,19?,20+,21?,23?/m0/s1
- InChIKey
- NCFABVDNFAPWSM-BNYSRAOOSA-N
- Compound name
- (9R,10S,13S,14R,16S)-13-ethyl-8,15-dimethyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 342.23018 | 175.0 |
[M+Na]+ | 364.21212 | 180.0 |
[M-H]- | 340.21562 | 171.4 |
[M+NH4]+ | 359.25672 | 198.6 |
[M+K]+ | 380.18606 | 167.3 |
[M+H-H2O]+ | 324.22016 | 168.3 |
[M+HCOO]- | 386.22110 | 174.7 |
[M+CH3COO]- | 400.23675 | 181.5 |
[M+Na-2H]- | 362.19757 | 179.4 |
[M]+ | 341.22235 | 174.5 |
[M]- | 341.22345 | 174.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.