CID 57119
96687-24-0
Structural Information
- Molecular Formula
- C25H38N2O2S
- SMILES
- CC(C)NC1=NC(=CS1)[C@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=C[C@H](CC[C@]45C)O)C)O
- InChI
- InChI=1S/C25H38N2O2S/c1-15(2)26-22-27-21(14-30-22)25(29)12-9-20-18-6-5-16-13-17(28)7-10-23(16,3)19(18)8-11-24(20,25)4/h13-15,17-20,28-29H,5-12H2,1-4H3,(H,26,27)/t17-,18+,19-,20-,23-,24-,25-/m0/s1
- InChIKey
- BRTIEGAEDSTNID-HIYRCXEDSA-N
- Compound name
- (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 431.27268 | 201.3 |
[M+Na]+ | 453.25462 | 205.7 |
[M-H]- | 429.25812 | 204.4 |
[M+NH4]+ | 448.29922 | 221.2 |
[M+K]+ | 469.22856 | 199.6 |
[M+H-H2O]+ | 413.26266 | 195.9 |
[M+HCOO]- | 475.26360 | 203.9 |
[M+CH3COO]- | 489.27925 | 207.7 |
[M+Na-2H]- | 451.24007 | 198.9 |
[M]+ | 430.26485 | 197.4 |
[M]- | 430.26595 | 197.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.