PubChemLite - Oxycodone cr (C19H23NO4)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	330.17000	172.3
[M+Na]+	352.15194	178.6
[M-H]-	328.15544	176.5
[M+NH4]+	347.19654	193.8
[M+K]+	368.12588	175.0
[M+H-H2O]+	312.15998	165.0
[M+HCOO]-	374.16092	182.8
[M+CH3COO]-	388.17657	182.1
[M+Na-2H]-	350.13739	177.8
[M]+	329.16217	172.0
[M]-	329.16327	172.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

330.17000

172.3

[M+Na]+

352.15194

178.6

[M-H]-

328.15544

176.5

[M+NH4]+

347.19654

193.8

[M+K]+

368.12588

175.0

[M+H-H2O]+

312.15998

165.0

[M+HCOO]-

374.16092

182.8

[M+CH3COO]-

388.17657

182.1

[M+Na-2H]-

350.13739

177.8

[M]+

329.16217

172.0

[M]-

329.16327

172.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Oxycodone cr

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe