Metabolite Hydroxynorfentanyl

Name

Hydroxynorfentanyl

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

TZ7M0WMW21

CAS number

Not Available

Weight

Average: 248.326
Monoisotopic: 248.152477892

Chemical Formula

C₁₄H₂₀N₂O₂

InChI Key

ODJQWAPHOXFBAG-UHFFFAOYSA-N

InChI

InChI=1S/C14H20N2O2/c17-11-8-14(18)16(12-4-2-1-3-5-12)13-6-9-15-10-7-13/h1-5,13,15,17H,6-11H2

IUPAC Name

3-hydroxy-N-phenyl-N-(piperidin-4-yl)propanamide

SMILES

OCCC(=O)N(C1CCNCC1)C1=CC=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000t-0290000000-03f45f5bfa09c55574f4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0090000000-83739b0b9b9671447023
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-003s-4790000000-709623e342d718a7338f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ufu-9420000000-00ed20adc45fbd09f796
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-9100000000-30828e6f38473c135662
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0007-9100000000-f434b1344e497cd0fdfc

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	169.5411657	predicted	DarkChem Lite v0.1.0
[M-H]-	154.30621	predicted	DeepCCS 1.0 (2019)
[M+H]+	169.5370657	predicted	DarkChem Lite v0.1.0
[M+H]+	156.66423	predicted	DeepCCS 1.0 (2019)
[M+Na]+	169.1466657	predicted	DarkChem Lite v0.1.0
[M+Na]+	162.75737	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties