CID 76959818
Prajmaline
Structural Information
- Molecular Formula
- C23H33N2O2
- SMILES
- CCC[N@@+]12[C@H]3C[C@@H]([C@@H]([C@H]1O)CC)[C@H]4[C@@H]2C[C@@]5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O
- InChI
- InChI=1S/C23H33N2O2/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3/q+1/t13-,14-,17-,18-,19-,20-,21+,22+,23+,25-/m0/s1
- InChIKey
- UAUHEPXILIZYCU-ALHOSYKFSA-N
- Compound name
- (1R,9R,10S,12R,13S,14R,15R,16S,17S,18R)-13-ethyl-8-methyl-15-propyl-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]+ | 370.26148 | 183.7 |
[M+Na]+ | 392.24342 | 187.8 |
[M-H]- | 368.24692 | 179.7 |
[M+NH4]+ | 387.28802 | 206.2 |
[M+K]+ | 408.21736 | 174.7 |
[M+H-H2O]+ | 352.25146 | 176.7 |
[M+HCOO]- | 414.25240 | 182.7 |
[M+CH3COO]- | 428.26805 | 189.3 |
[M+Na-2H]- | 390.22887 | 187.1 |
[M]+ | 369.25365 | 183.7 |
[M]- | 369.25475 | 183.7 |