For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-(4-Chlorophenyl)-N-(1-[(2-thiophen-2-yl)ethyl]piperidin-4-yl)pent-4-enamide
SpectraBase Compound ID JS6uYoufTCE
InChI InChI=1S/C22H27ClN2OS/c1-2-3-6-22(26)25(19-9-7-18(23)8-10-19)20-11-14-24(15-12-20)16-13-21-5-4-17-27-21/h2,4-5,7-10,17,20H,1,3,6,11-16H2
InChIKey IZJYENHJLKTFAL-UHFFFAOYSA-N
Mol Weight 402.98 g/mol
Molecular Formula C22H27ClN2OS
Exact Mass 402.153262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DmXCUzhOc2S
Name N-(4-Chlorophenyl)-N-(1-[(2-thiophen-2-yl)ethyl]piperidin-4-yl)pent-4-enamide
Classification Fentanyl opioid
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 402.153262370 u
Formula C22H27ClN2OS
InChI InChI=1S/C22H27ClN2OS/c1-2-3-6-22(26)25(19-9-7-18(23)8-10-19)20-11-14-24(15-12-20)16-13-21-5-4-17-27-21/h2,4-5,7-10,17,20H,1,3,6,11-16H2
InChIKey IZJYENHJLKTFAL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 402.984 g/mol
Nominal Mass 402 u
Quality 1000
Retention Index 3065
SMILES C1(N(C=2C=CC(=CC2)Cl)C(CCC=C)=O)CCN(CC1)CCC=1SC=CC1
SPLASH splash10-0a4i-6119000000-9820f9f8d8d75d20b6b3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+(4-Pentenoyl-phenyl+4-chlorophenyl-phenethyl+(thiophen-2-yl-ethyl))
Technique GC/MS
Wiley ID DD2024_026848