CID 9866663
Org 7797
Structural Information
- Molecular Formula
- C19H27NO2
- SMILES
- C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2NC)O)CCC4=C3C=CC(=C4)O
- InChI
- InChI=1S/C19H27NO2/c1-19-8-7-14-13-6-4-12(21)9-11(13)3-5-15(14)16(19)10-17(22)18(19)20-2/h4,6,9,14-18,20-22H,3,5,7-8,10H2,1-2H3/t14-,15-,16+,17-,18+,19+/m1/s1
- InChIKey
- PPPXYPPFQFAPMY-QKDSSNGWSA-N
- Compound name
- (8R,9S,13S,14S,16R,17R)-13-methyl-17-(methylamino)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 302.21148 | 171.2 |
[M+Na]+ | 324.19342 | 177.0 |
[M-H]- | 300.19692 | 173.8 |
[M+NH4]+ | 319.23802 | 191.9 |
[M+K]+ | 340.16736 | 170.8 |
[M+H-H2O]+ | 284.20146 | 165.5 |
[M+HCOO]- | 346.20240 | 183.3 |
[M+CH3COO]- | 360.21805 | 180.6 |
[M+Na-2H]- | 322.17887 | 173.0 |
[M]+ | 301.20365 | 165.2 |
[M]- | 301.20475 | 165.2 |
Literature stripe
No literature data available for this compound.