Metabolite noralfentanil

Name

noralfentanil

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

IO6G3L550Q

CAS number

Not Available

Weight

Average: 276.374
Monoisotopic: 276.183778022

Chemical Formula

C₁₆H₂₄N₂O₂

InChI Key

ULOZGJWEIWAWML-UHFFFAOYSA-N

InChI

InChI=1S/C16H24N2O2/c1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16/h4-8,17H,3,9-13H2,1-2H3

IUPAC Name

N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

SMILES

CCC(=O)N(C1=CC=CC=C1)C1(COC)CCNCC1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-004l-7960000000-e3902ef7785f3e4fcae7
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-2090000000-9508d4417cd861f70579
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0190000000-e027c33d763d4d421bc4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0abc-9500000000-c529f016ad684193ac3e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000m-4930000000-afaa5cdd8da4de5ca79c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004v-7900000000-84380a1f4906a5f387d5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-006x-6900000000-bc8b9ceb7c9dca053de9

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	174.4301057	predicted	DarkChem Lite v0.1.0
[M-H]-	173.9061057	predicted	DarkChem Lite v0.1.0
[M-H]-	162.27654	predicted	DeepCCS 1.0 (2019)
[M+H]+	174.9172057	predicted	DarkChem Lite v0.1.0
[M+H]+	174.1295057	predicted	DarkChem Lite v0.1.0
[M+H]+	164.63454	predicted	DeepCCS 1.0 (2019)
[M+Na]+	174.2993057	predicted	DarkChem Lite v0.1.0
[M+Na]+	173.9004057	predicted	DarkChem Lite v0.1.0
[M+Na]+	170.72768	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties