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N'-(di(pyridin-2-yl)methylene)-4-phenylpiperazine-1-carbothiohydrazide
SpectraBase Compound ID FCdQQHSA6dN
InChI InChI=1S/C22H22N6S/c29-22(28-16-14-27(15-17-28)18-8-2-1-3-9-18)26-25-21(19-10-4-6-12-23-19)20-11-5-7-13-24-20/h1-13H,14-17H2,(H,26,29)
InChIKey SZECUWLSZHHIFH-UHFFFAOYSA-N
Mol Weight 402.52 g/mol
Molecular Formula C22H22N6S
Exact Mass 402.162666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLFeT5bClO1
Name N'-(di(pyridin-2-yl)methylene)-4-phenylpiperazine-1-carbothiohydrazide
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Formula C22H22N6S
InChI InChI=1S/C22H22N6S/c29-22(28-16-14-27(15-17-28)18-8-2-1-3-9-18)26-25-21(19-10-4-6-12-23-19)20-11-5-7-13-24-20/h1-13H,14-17H2,(H,26,29)
InChIKey SZECUWLSZHHIFH-UHFFFAOYSA-N
Ionization Type EI positive ion
Literature Reference DOI 10.1021/ml400422a
Molecular Weight 402.520 g/mol
Reported Formula C22H22N6S
SMILES N(N=C(c1ccccn1)c1ncccc1)C(=S)N1CCN(CC1)c1ccccc1
SPLASH splash10-0229-3920000000-878cf1751a989665db8d
Source of Spectrum MCS-5-SM4-1
Thin-Layer Chromatography Rf= 0.28 (dichloromethane/methanol, 40:1)
Wiley ID 1864134