CID 203546
14668-13-4
Structural Information
- Molecular Formula
- C27H44NO3
- SMILES
- CC(=O)O[C@H]1C[C@@H]2CCC3C4CCC(=O)[C@]4(CCC3[C@]2(C[C@@H]1[N+]5(CCCCC5)C)C)C
- InChI
- InChI=1S/C27H44NO3/c1-18(29)31-24-16-19-8-9-20-21-10-11-25(30)26(21,2)13-12-22(20)27(19,3)17-23(24)28(4)14-6-5-7-15-28/h19-24H,5-17H2,1-4H3/q+1/t19-,20?,21?,22?,23-,24-,26-,27-/m0/s1
- InChIKey
- XEURXBPZLXIONH-WHTYGFBVSA-N
- Compound name
- [(2S,3S,5S,10S,13S)-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 431.33940 | 211.9 |
[M+Na]+ | 453.32134 | 212.7 |
[M-H]- | 429.32484 | 215.8 |
[M+NH4]+ | 448.36594 | 229.6 |
[M+K]+ | 469.29528 | 201.4 |
[M+H-H2O]+ | 413.32938 | 204.4 |
[M+HCOO]- | 475.33032 | 212.9 |
[M+CH3COO]- | 489.34597 | 223.1 |
[M+Na-2H]- | 451.30679 | 208.3 |
[M]+ | 430.33157 | 199.8 |
[M]- | 430.33267 | 199.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.