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N-(3-Iodophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]hexanamide
SpectraBase Compound ID Cn2Hz61y6qv
InChI InChI=1S/C25H33IN2O/c1-2-3-5-13-25(29)28(24-12-8-11-22(26)20-24)23-15-18-27(19-16-23)17-14-21-9-6-4-7-10-21/h4,6-12,20,23H,2-3,5,13-19H2,1H3
InChIKey NFYDUXIHYXZAAY-UHFFFAOYSA-N
Mol Weight 504.5 g/mol
Molecular Formula C25H33IN2O
Exact Mass 504.163759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2owgx91AUsK
Name N-(3-Iodophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]hexanamide
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 504.163758690 u
Formula C25H33IN2O
InChI InChI=1S/C25H33IN2O/c1-2-3-5-13-25(29)28(24-12-8-11-22(26)20-24)23-15-18-27(19-16-23)17-14-21-9-6-4-7-10-21/h4,6-12,20,23H,2-3,5,13-19H2,1H3
InChIKey NFYDUXIHYXZAAY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 504.456 g/mol
Nominal Mass 504 u
Quality 1000
Retention Index 3255
SMILES C1(N(C=2C=C(C=CC2)I)C(CCCCC)=O)CCN(CC1)CCC=1C=CC=CC1
SPLASH splash10-0303-9644200000-42fd69f4a5fa11bfc193
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+hexanoyl-phenyl+(3-iodophenyl))
Technique GC/MS
Wiley ID DD2024_033934