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

compound 2d structure
8
Annotation Hits

2000
References

46455
Patents

285.1365 Da
Monoisotopic Mass

1.8
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe