CID 129630659

Oxycodone cr

Structural Information

Molecular Formula
C19H23NO4
SMILES
CNC1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O
InChI
InChI=1S/C19H23NO4/c1-20-12-5-7-18-15-10-3-4-14(23-2)16(15)24-17(18)13(21)6-8-19(18,22)11(12)9-10/h3-4,11-12,17,20,22H,5-9H2,1-2H3/t11-,12?,17-,18-,19+/m0/s1
InChIKey
HVIUSFDKCUUTIO-XEASQNCBSA-N
Compound name
(1S,5S,13R,17R)-17-hydroxy-10-methoxy-4-(methylamino)-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 174.8
[M+Na]+ 352.15194 184.7
[M+NH4]+ 347.19654 186.9
[M+K]+ 368.12588 176.4
[M-H]- 328.15544 178.3
[M+Na-2H]- 350.13739 176.3
[M]+ 329.16217 177.4
[M]- 329.16327 177.4
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

No patent data available for this compound.