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N-(3-Bromophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]pentanamide
SpectraBase Compound ID B9qsW7TgLgP
InChI InChI=1S/C24H31BrN2O/c1-2-3-12-24(28)27(23-11-7-10-21(25)19-23)22-14-17-26(18-15-22)16-13-20-8-5-4-6-9-20/h4-11,19,22H,2-3,12-18H2,1H3
InChIKey JJFQUFLIIQWNEK-UHFFFAOYSA-N
Mol Weight 443.43 g/mol
Molecular Formula C24H31BrN2O
Exact Mass 442.161977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIW5S1oFVqS
Name N-(3-Bromophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]pentanamide
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 442.161976625 u
Formula C24H31BrN2O
InChI InChI=1S/C24H31BrN2O/c1-2-3-12-24(28)27(23-11-7-10-21(25)19-23)22-14-17-26(18-15-22)16-13-20-8-5-4-6-9-20/h4-11,19,22H,2-3,12-18H2,1H3
InChIKey JJFQUFLIIQWNEK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 443.429 g/mol
Nominal Mass 442 u
Quality 998
Retention Index 3143
SMILES C1(N(C=2C=C(C=CC2)Br)C(CCCC)=O)CCN(CC1)CCC=1C=CC=CC1
SPLASH splash10-0gb9-5394000000-df7cddf9d4ab9f532243
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+pentanoyl-phenyl+(3-bromophenyl))
Technique GC/MS
Wiley ID DD2024_034029