Metabolite β-hydroxy-butyrfentanyl

Name

β-hydroxy-butyrfentanyl

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 366.505
Monoisotopic: 366.230728214

Chemical Formula

C₂₃H₃₀N₂O₂

InChI Key

JJIPWPOTLQKOOE-UHFFFAOYSA-N

InChI

InChI=1S/C23H30N2O2/c1-2-9-23(27)25(20-12-7-4-8-13-20)21-14-16-24(17-15-21)18-22(26)19-10-5-3-6-11-19/h3-8,10-13,21-22,26H,2,9,14-18H2,1H3

IUPAC Name

N-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-N-phenylbutanamide

SMILES

CCCC(=O)N(C1CCN(CC(O)C2=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	splash10-00or-0095000000-c4c14bdf6d6d5e436307
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0009000000-37e5fc37286feec3b510
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0095000000-3acc5f5e4ad1d655369b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014l-9145000000-9a526a1e4a7d99eabe5e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0390000000-cd809cc5e254b366216f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00vi-1950000000-aa46b0befc3183fc8532

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	186.56093	predicted	DeepCCS 1.0 (2019)
[M+H]+	189.18279	predicted	DeepCCS 1.0 (2019)
[M+Na]+	197.32903	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties