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N-4-Methylphenyl-N-[1-(1-phenylpropan-2-yl)piperidin-4-yl]-thiophene-2-carboxamide
SpectraBase Compound ID HTwRDAnSRSj
InChI InChI=1S/C26H30N2OS/c1-20-10-12-23(13-11-20)28(26(29)25-9-6-18-30-25)24-14-16-27(17-15-24)21(2)19-22-7-4-3-5-8-22/h3-13,18,21,24H,14-17,19H2,1-2H3
InChIKey MXOGPYLBQJPGBQ-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H30N2OS
Exact Mass 418.207885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVQML7vd6LQ
Name N-4-Methylphenyl-N-[1-(1-phenylpropan-2-yl)piperidin-4-yl]-thiophene-2-carboxamide
Classification Fentanyl opioid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 418.207884767 u
Formula C26H30N2OS
InChI InChI=1S/C26H30N2OS/c1-20-10-12-23(13-11-20)28(26(29)25-9-6-18-30-25)24-14-16-27(17-15-24)21(2)19-22-7-4-3-5-8-22/h3-13,18,21,24H,14-17,19H2,1-2H3
InChIKey MXOGPYLBQJPGBQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 418.599 g/mol
Nominal Mass 418 u
Quality 988
Retention Index 3444
SMILES C1(N(C(C=2SC=CC2)=O)C=2C=CC(=CC2)C)CCN(C(CC2=CC=CC=C2)C)CC1
SPLASH splash10-01t9-6927000000-823d97be208388fbef34
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+thiophene-2-carbonyl-phenyl+4-methylphenyl-phenethyl+1-phenylpropan-2-yl)
Technique GC/MS
Wiley ID DD2024_028772