Metabolite (ω-1)-hydroxy-butyrfentanyl

Name

(ω-1)-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

CHVTVQSOFNGHDO-UHFFFAOYSA-N

InChI

InChI=1S/C23H30N2O2/c1-19(26)18-23(27)25(21-10-6-3-7-11-21)22-13-16-24(17-14-22)15-12-20-8-4-2-5-9-20/h2-11,19,22,26H,12-18H2,1H3

IUPAC Name

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

SMILES

CC(O)CC(=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	splash10-0159-8079000000-46c58d7baeb0e487c0ba
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-06di-0009000000-298b4cf5de826976d729
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-015c-9265000000-d662373f6af1eb19b008
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00kf-9022000000-3dfd04ee8ce6c185af6e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0fmi-2940000000-af9480c1502a1f5930f4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a59-0920000000-4f62977bc95434c6f2c2

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	186.15329	predicted	DeepCCS 1.0 (2019)
[M+H]+	188.52745	predicted	DeepCCS 1.0 (2019)
[M+Na]+	196.07436	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties