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N-(1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl)-N-2-methylphenylpent-4-enamide
SpectraBase Compound ID CUhtWc2Y2dT
InChI InChI=1S/C25H31FN2O/c1-3-4-9-25(29)28(24-8-6-5-7-20(24)2)23-15-18-27(19-16-23)17-14-21-10-12-22(26)13-11-21/h3,5-8,10-13,23H,1,4,9,14-19H2,2H3
InChIKey ASSXQUIFXRYRQA-UHFFFAOYSA-N
Mol Weight 394.53 g/mol
Molecular Formula C25H31FN2O
Exact Mass 394.242042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmXvqb98CRM
Name N-(1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl)-N-2-methylphenylpent-4-enamide
Classification Fentalogue
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
DEA Citation 21 CFR §1308.11 (h) (30)
DEA Controlled Substance Name (i) Fentanyl-related substance means any substance not otherwise listed under another Administration Controlled Substance Code Number, and for which no exemption or approval is in effect under section 505 of the Federal Food, Drug, and Cosmetic Act [21 U.S.C. 355], that is structurally related to fentanyl by one or more of the following modifications:
DEA Controlled Substance Type Isomers, esters, ethers, salts and salts of isomers, esters and ethers
DEA Controlled Substances Code Number 9850
DEA Schedule Schedule I
DEA Section Temporary listing of substances subject to emergency scheduling. Any material, compound, mixture or preparation which contains any quantity of the following substances.
Exact Mass 394.242041788 u
Formula C25H31FN2O
InChI InChI=1S/C25H31FN2O/c1-3-4-9-25(29)28(24-8-6-5-7-20(24)2)23-15-18-27(19-16-23)17-14-21-10-12-22(26)13-11-21/h3,5-8,10-13,23H,1,4,9,14-19H2,2H3
InChIKey ASSXQUIFXRYRQA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 394.534 g/mol
Nominal Mass 394 u
Quality 998
Retention Index 2952
SMILES C=1(N(C2CCN(CC2)CCC2=CC=C(C=C2)F)C(CCC=C)=O)C(=CC=CC1)C
SPLASH splash10-0iki-5970000000-cc74b3f16ac0d981c050
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+(pent-4-enoyl)-phenyl+(2-methylphenyl)-phenethyl+[2-(4-fluorophenylethyl)])
Technique GC/MS
Wiley ID DD2024_030685