Metabolite noroxycodone

Name

noroxycodone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

95Q949779D

CAS number

Not Available

Weight

Average: 301.3371
Monoisotopic: 301.131408101

Chemical Formula

C₁₇H₁₉NO₄

InChI Key

RIKMCJUNPCRFMW-ISWURRPUSA-N

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

IUPAC Name

(1S,5R,13R,17S)-17-hydroxy-10-methoxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one

SMILES

[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN[C@]([H])(C4)[C@]1(O)CCC2=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0a4l-9070000000-4abba3f79f8f09f4630c
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0019000000-b217b5751f3619746d1d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0009000000-d0e21db678c71c252a01
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f89-0096000000-3ee780c8d3fa9d68c373
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0009000000-2379d13b20bc518b33f2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0098000000-18a64b8698283977226d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0knc-0091000000-eaf6ff41a8004c4a7cf5

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	174.1748379	predicted	DarkChem Lite v0.1.0
[M-H]-	174.15971	predicted	DeepCCS 1.0 (2019)
[M+H]+	174.2191379	predicted	DarkChem Lite v0.1.0
[M+H]+	176.51772	predicted	DeepCCS 1.0 (2019)
[M+Na]+	173.6943379	predicted	DarkChem Lite v0.1.0
[M+Na]+	184.17418	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties