Metabolite Despropionylfentanyl

Name

Despropionylfentanyl

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Q88EHD0U8G

CAS number

Not Available

Weight

Average: 280.415
Monoisotopic: 280.193948781

Chemical Formula

C₁₉H₂₄N₂

InChI Key

ZCMDXDQUYIWEKB-UHFFFAOYSA-N

InChI

InChI=1S/C19H24N2/c1-3-7-17(8-4-1)11-14-21-15-12-19(13-16-21)20-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2

IUPAC Name

N-phenyl-1-(2-phenylethyl)piperidin-4-amine

SMILES

C(CC1=CC=CC=C1)N1CCC(CC1)NC1=CC=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-e63d790aa35d432ef3f1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0090000000-fc337992b673f708abde
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001r-2980000000-11ba087c70f60de6129f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-1090000000-5312b93058b1660e55f9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0563-8920000000-d1920637ada95939f33e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9400000000-562c2efc95dc22733325

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	186.9298195	predicted	DarkChem Lite v0.1.0
[M-H]-	162.49083	predicted	DeepCCS 1.0 (2019)
[M+H]+	187.2273195	predicted	DarkChem Lite v0.1.0
[M+H]+	164.84883	predicted	DeepCCS 1.0 (2019)
[M+Na]+	186.9001195	predicted	DarkChem Lite v0.1.0
[M+Na]+	170.94197	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties