Metabolite Hydroxyfentanyl

Name

Hydroxyfentanyl

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 352.478
Monoisotopic: 352.21507815

Chemical Formula

C₂₂H₂₈N₂O₂

InChI Key

BXGSQUNMZMHPKS-UHFFFAOYSA-N

InChI

InChI=1S/C22H28N2O2/c25-18-14-22(26)24(20-9-5-2-6-10-20)21-12-16-23(17-13-21)15-11-19-7-3-1-4-8-19/h1-10,21,25H,11-18H2

IUPAC Name

3-hydroxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

SMILES

OCCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0uei-1039000000-ac8ad3cf0cb21bbea8a1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0zmi-0009000000-46295dfc85510a82d063
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001r-0298000000-0503fca2de0fec288b10
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0920000000-dc0109662ca657fa5e4a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0kdl-9033000000-c12a90c4ce205b663ca1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0fi3-5930000000-3755198d1818623e19ff

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	207.0541361	predicted	DarkChem Lite v0.1.0
[M-H]-	179.86009	predicted	DeepCCS 1.0 (2019)
[M+H]+	206.7348361	predicted	DarkChem Lite v0.1.0
[M+H]+	182.21811	predicted	DeepCCS 1.0 (2019)
[M+Na]+	206.4962361	predicted	DarkChem Lite v0.1.0
[M+Na]+	189.84969	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties