Metabolite ω-hydroxy-butyrfentanyl

Name

ω-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

KQNFNXVUQAGCHW-UHFFFAOYSA-N

InChI

InChI=1S/C23H30N2O2/c26-19-7-12-23(27)25(21-10-5-2-6-11-21)22-14-17-24(18-15-22)16-13-20-8-3-1-4-9-20/h1-6,8-11,22,26H,7,12-19H2

IUPAC Name

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

SMILES

OCCCC(=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	splash10-014i-5029000000-91fcaaccde740f389aa8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0009000000-4e8e9c6da3aec0062dc4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-016r-9074000000-c7c29e8335727b272e2f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-015m-9238000000-151892be46f30981d13e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-1910000000-e90c0ef62d76db748cba
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0g29-2950000000-9f014ee22fdb120e1ef0

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	187.66898	predicted	DeepCCS 1.0 (2019)
[M+H]+	190.29817	predicted	DeepCCS 1.0 (2019)
[M+Na]+	198.5398	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties