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N-(3-Iodophenyl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
SpectraBase Compound ID 9PgCVvHCPa0
InChI InChI=1S/C23H27IN2O/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/h3-10,17,21H,1,11-16H2,2H3
InChIKey OSKCYPPJUSEYNC-UHFFFAOYSA-N
Mol Weight 474.39 g/mol
Molecular Formula C23H27IN2O
Exact Mass 474.116808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GV2qMHI4ebA
Name N-(3-Iodophenyl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-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 474.116808496 u
Formula C23H27IN2O
InChI InChI=1S/C23H27IN2O/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/h3-10,17,21H,1,11-16H2,2H3
InChIKey OSKCYPPJUSEYNC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 474.386 g/mol
Nominal Mass 474 u
Quality 1000
Retention Index 3033
SMILES C1(N(C=2C=C(C=CC2)I)C(C(=C)C)=O)CCN(CC1)CCC=1C=CC=CC1
SPLASH splash10-00lu-9425000000-1ebfbe984a5fd21a36f8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+methacryloyl-phenyl+(3-iodophenyl))
Technique GC/MS
Wiley ID DD2024_033945