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N-(4-Chlorophenyl)-N-(1-[(2-thiophen-2-yl)ethyl]piperidin-4-yl)isobutyramide
SpectraBase Compound ID KfNDHCrf9pS
InChI InChI=1S/C21H27ClN2OS/c1-16(2)21(25)24(18-7-5-17(22)6-8-18)19-9-12-23(13-10-19)14-11-20-4-3-15-26-20/h3-8,15-16,19H,9-14H2,1-2H3
InChIKey GJOJGGBIBZFMNA-UHFFFAOYSA-N
Mol Weight 390.97 g/mol
Molecular Formula C21H27ClN2OS
Exact Mass 390.153262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUNm8wrO5q4
Name N-(4-Chlorophenyl)-N-(1-[(2-thiophen-2-yl)ethyl]piperidin-4-yl)isobutyramide
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 390.153262370 u
Formula C21H27ClN2OS
InChI InChI=1S/C21H27ClN2OS/c1-16(2)21(25)24(18-7-5-17(22)6-8-18)19-9-12-23(13-10-19)14-11-20-4-3-15-26-20/h3-8,15-16,19H,9-14H2,1-2H3
InChIKey GJOJGGBIBZFMNA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 390.973 g/mol
Nominal Mass 390 u
Quality 995
Retention Index 2908
SMILES C1(N(C=2C=CC(=CC2)Cl)C(C(C)C)=O)CCN(CC1)CCC=1SC=CC1
SPLASH splash10-0006-3490000000-c074d7a8ac40706593e6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+isobutyryl-phenyl+4-chlorophenyl-phenethyl+(thiophen-2-yl-ethyl))
Technique GC/MS
Wiley ID DD2024_026829