CID 10711997
L-39
Structural Information
- Molecular Formula
- C22H27NO2
- SMILES
- C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CC=NO5)C
- InChI
- InChI=1S/C22H27NO2/c1-21-10-7-15(24)13-14(21)3-4-16-17-5-6-19(20-9-12-23-25-20)22(17,2)11-8-18(16)21/h6,9,12-13,16-18H,3-5,7-8,10-11H2,1-2H3/t16-,17-,18-,21-,22-/m0/s1
- InChIKey
- ODOKPGQFNOPGEE-SPAGYVKCSA-N
- Compound name
- (8R,9S,10R,13S,14S)-10,13-dimethyl-17-(1,2-oxazol-5-yl)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 338.21148 | 182.8 |
[M+Na]+ | 360.19342 | 189.9 |
[M-H]- | 336.19692 | 190.5 |
[M+NH4]+ | 355.23802 | 203.9 |
[M+K]+ | 376.16736 | 184.5 |
[M+H-H2O]+ | 320.20146 | 174.6 |
[M+HCOO]- | 382.20240 | 194.7 |
[M+CH3COO]- | 396.21805 | 192.7 |
[M+Na-2H]- | 358.17887 | 182.4 |
[M]+ | 337.20365 | 179.0 |
[M]- | 337.20475 | 179.0 |