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3-[2-(4-phenyl-1-piperazinyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
SpectraBase Compound ID 9DpITSmsYMQ
InChI InChI=1S/C20H21F3N4OS/c21-20(22,23)28-16-6-7-17-18(14-16)29-19(24)27(17)13-10-25-8-11-26(12-9-25)15-4-2-1-3-5-15/h1-7,14,24H,8-13H2
InChIKey ABHUMJXSVVFEPJ-UHFFFAOYSA-N
Mol Weight 422.47 g/mol
Molecular Formula C20H21F3N4OS
Exact Mass 422.138817 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1PCvB2Mkd6
Name 3-[2-(4-phenyl-1-piperazinyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
Alternate Name(s) 3-[2-(4-phenylpiperazin-1-yl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine 3-[2-(4-phenylpiperazin-1-yl)ethyl]-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine [3-[2-(4-phenylpiperazino)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21F3N4OS
InChI InChI=1S/C20H21F3N4OS/c21-20(22,23)28-16-6-7-17-18(14-16)29-19(24)27(17)13-10-25-8-11-26(12-9-25)15-4-2-1-3-5-15/h1-7,14,24H,8-13H2
InChIKey ABHUMJXSVVFEPJ-UHFFFAOYSA-N
Molecular Weight 422.470 g/mol
SMILES N=C1N(c2ccc(OC(F)(F)F)cc2S1)CCN1CCN(CC1)c1ccccc1
SPLASH splash10-001r-0900000000-9e079c3672daf15e3b54
Source of Spectrum F2-42-2838-80
Wiley ID 1600300