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N-(3-Bromophenyl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SpectraBase Compound ID B45piT67qHw
InChI InChI=1S/C23H29BrN2O/c1-18(2)23(27)26(22-10-6-9-20(24)17-22)21-12-15-25(16-13-21)14-11-19-7-4-3-5-8-19/h3-10,17-18,21H,11-16H2,1-2H3
InChIKey FQTIWXIJZJXDPP-UHFFFAOYSA-N
Mol Weight 429.4 g/mol
Molecular Formula C23H29BrN2O
Exact Mass 428.146327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FDEQvnOLSq
Name N-(3-Bromophenyl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
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 428.146326561 u
Formula C23H29BrN2O
InChI InChI=1S/C23H29BrN2O/c1-18(2)23(27)26(22-10-6-9-20(24)17-22)21-12-15-25(16-13-21)14-11-19-7-4-3-5-8-19/h3-10,17-18,21H,11-16H2,1-2H3
InChIKey FQTIWXIJZJXDPP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 429.402 g/mol
Nominal Mass 428 u
Quality 996
Retention Index 2950
SMILES C1(N(C=2C=C(C=CC2)Br)C(C(C)C)=O)CCN(CC1)CCC=1C=CC=CC1
SPLASH splash10-014u-6493000000-8d73099a0915c6d71195
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+(2-methylpropionyl)-phenyl+(3-bromophenyl))
Technique GC/MS
Wiley ID DD2024_034028