CID 5284570
Hydromorphone
Structural Information
- Molecular Formula
- C17H19NO3
- SMILES
- CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)CC4
- InChI
- InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1
- InChIKey
- WVLOADHCBXTIJK-YNHQPCIGSA-N
- Compound name
- (4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 286.14378 | 165.1 |
[M+Na]+ | 308.12572 | 177.0 |
[M+NH4]+ | 303.17032 | 176.4 |
[M+K]+ | 324.09966 | 170.1 |
[M-H]- | 284.12922 | 168.3 |
[M+Na-2H]- | 306.11117 | 165.7 |
[M]+ | 285.13595 | 167.8 |
[M]- | 285.13705 | 167.8 |