Metabolite Reduced ketobemidone

Name

Reduced ketobemidone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 249.3486
Monoisotopic: 249.172878985

Chemical Formula

C₁₅H₂₃NO₂

InChI Key

CUWNYXLTWXEDNK-UHFFFAOYSA-N

InChI

InChI=1S/C15H23NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,14,17-18H,3,7-10H2,1-2H3

IUPAC Name

3-[4-(1-hydroxypropyl)-1-methylpiperidin-4-yl]phenol

SMILES

CCC(O)C1(CCN(C)CC1)C1=CC(O)=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f80-0490000000-10c51f47725d105390c8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00kb-0090000000-fce91284227b9c1175b1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0090000000-1e245bbdfd4513161390
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-3950000000-8b8fa47cbd476414b4c9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00rg-4900000000-a5e36efdf8fe47f2dc55
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00ed-5920000000-d6878e323664940ddf98

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	160.19398	predicted	DeepCCS 1.0 (2019)
[M+H]+	162.55199	predicted	DeepCCS 1.0 (2019)
[M+Na]+	168.64513	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties