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N-4-Trifluoromethylbenzyl-N-(2-methylphenyl)-1-[(2-thiophen-2-yl)ethyl]-piperidin-4-amine
SpectraBase Compound ID EMw3AcflEU6
InChI InChI=1S/C26H29F3N2S/c1-20-5-2-3-7-25(20)31(19-21-8-10-22(11-9-21)26(27,28)29)23-12-15-30(16-13-23)17-14-24-6-4-18-32-24/h2-11,18,23H,12-17,19H2,1H3
InChIKey ZTAZPRDBIFMMOK-UHFFFAOYSA-N
Mol Weight 458.59 g/mol
Molecular Formula C26H29F3N2S
Exact Mass 458.200355 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bnJGN5Vzs
Name N-4-Trifluoromethylbenzyl-N-(2-methylphenyl)-1-[(2-thiophen-2-yl)ethyl]-piperidin-4-amine
Classification Fentanyl opioid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 458.200354605 u
Formula C26H29F3N2S
InChI InChI=1S/C26H29F3N2S/c1-20-5-2-3-7-25(20)31(19-21-8-10-22(11-9-21)26(27,28)29)23-12-15-30(16-13-23)17-14-24-6-4-18-32-24/h2-11,18,23H,12-17,19H2,1H3
InChIKey ZTAZPRDBIFMMOK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 458.587 g/mol
Nominal Mass 458 u
Quality 1000
Retention Index 3497
SMILES C=1(N(C2CCN(CC2)CCC=2SC=CC2)CC=2C=CC(C(F)(F)F)=CC2)C(=CC=CC1)C
SPLASH splash10-03xr-6209000000-2522b7814e9455d4deb7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+4-trifluoromethylbenzyl-phenyl+2-methyphenyl-phenethyl+thiophen-2-yl-ethyl)
Technique GC/MS
Wiley ID DD2024_026666