PubChemLite - Noroxycodone (C17H19NO4)

Structural Information

Molecular Formula

SMILES

COC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4)[C@@H](O2)C(=O)CC5)O)C=C1

InChI

InChI=1S/C17H19NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,12,15,18,20H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1

InChIKey

RIKMCJUNPCRFMW-ISWURRPUSA-N

Compound name

(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-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]+	302.13868	166.4
[M+Na]+	324.12062	173.1
[M-H]-	300.12412	168.1
[M+NH4]+	319.16522	187.0
[M+K]+	340.09456	169.0
[M+H-H2O]+	284.12866	158.5
[M+HCOO]-	346.12960	173.9
[M+CH3COO]-	360.14525	175.8
[M+Na-2H]-	322.10607	172.0
[M]+	301.13085	164.5
[M]-	301.13195	164.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

302.13868

166.4

[M+Na]+

324.12062

173.1

[M-H]-

300.12412

168.1

[M+NH4]+

319.16522

187.0

[M+K]+

340.09456

169.0

[M+H-H2O]+

284.12866

158.5

[M+HCOO]-

346.12960

173.9

[M+CH3COO]-

360.14525

175.8

[M+Na-2H]-

322.10607

172.0

[M]+

301.13085

164.5

[M]-

301.13195

164.5

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

Noroxycodone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe