Metabolite 4'-hydroxy-butyrfentanyl

Name

4'-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

NYTWQGDYRIRPTG-UHFFFAOYSA-N

InChI

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

IUPAC Name

N-{1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl}-N-phenylbutanamide

SMILES

CCCC(=O)N(C1CCN(CCC2=CC=C(O)C=C2)CC1)C1=CC=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0009000000-31bdde23a57efac9fdbf
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014j-2059000000-bcaa28b74830c2f1dafe
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-9046000000-88b01cf3b6d3af395a96
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00kb-3169000000-6f5cff6b78c67c2c75c3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00b9-0910000000-55709bd2d7c264496bf9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05i0-0920000000-9a3d84da11359b97f528

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	188.94304	predicted	DeepCCS 1.0 (2019)
[M+H]+	191.6587	predicted	DeepCCS 1.0 (2019)
[M+Na]+	199.95686	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties