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2-(4-(2-(Methyl(pyridin-2-yl)amino)ethoxy)phenyl)-3-(2-(piperidin-1-yl)ethyl)-1,3-thiazinan-4-one
SpectraBase Compound ID JD4VHeWKneA
InChI InChI=1S/C25H34N4O2S/c1-27(23-7-3-4-13-26-23)18-19-31-22-10-8-21(9-11-22)25-29(24(30)12-20-32-25)17-16-28-14-5-2-6-15-28/h3-4,7-11,13,25H,2,5-6,12,14-20H2,1H3
InChIKey OLRIEMWFJYUIBQ-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C25H34N4O2S
Exact Mass 454.240248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dmzt0LAzwMM
Name 2-(4-(2-(Methyl(pyridin-2-yl)amino)ethoxy)phenyl)-3-(2-(piperidin-1-yl)ethyl)-1,3-thiazinan-4-one
Appearance Light brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34N4O2S
InChI InChI=1S/C25H34N4O2S/c1-27(23-7-3-4-13-26-23)18-19-31-22-10-8-21(9-11-22)25-29(24(30)12-20-32-25)17-16-28-14-5-2-6-15-28/h3-4,7-11,13,25H,2,5-6,12,14-20H2,1H3
InChIKey OLRIEMWFJYUIBQ-UHFFFAOYSA-N
Instrument Name Shimadzu CG 2010-Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3402
Molecular Weight 454.633 g/mol
Reported Formula C25H34N4O2S
SMILES c1nc(ccc1)N(C)CCOc1ccc(cc1)C1N(C(CCS1)=O)CCN1CCCCC1
SPLASH splash10-0002-9100000000-54005d3e0d962ccbd086
Source of Spectrum Y-56-SM15-10b
Wiley ID 1861074