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(E)-3-(1,3-dihydroxy-2-(hydroxymethyl) propan-2-ylamino)-1-(10H-phenothiazin-2-yl)prop-2-en-1-one
SpectraBase Compound ID DLMLi9DNxWu
InChI InChI=1S/C19H20N2O4S/c22-10-19(11-23,12-24)20-8-7-16(25)13-5-6-18-15(9-13)21-14-3-1-2-4-17(14)26-18/h1-9,20-24H,10-12H2/b8-7+
InChIKey AITGIZNHQJBKQT-BQYQJAHWSA-N
Mol Weight 372.44 g/mol
Molecular Formula C19H20N2O4S
Exact Mass 372.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12VlQgc4d18
Name (E)-3-(1,3-dihydroxy-2-(hydroxymethyl) propan-2-ylamino)-1-(10H-phenothiazin-2-yl)prop-2-en-1-one
Appearance Brown precipitate
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Formula C19H20N2O4S
InChI InChI=1S/C19H20N2O4S/c22-10-19(11-23,12-24)20-8-7-16(25)13-5-6-18-15(9-13)21-14-3-1-2-4-17(14)26-18/h1-9,20-24H,10-12H2/b8-7+
InChIKey AITGIZNHQJBKQT-BQYQJAHWSA-N
Instrument Name Kratos MS equipment or Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2716
Molecular Weight 372.439 g/mol
SMILES OCC(CO)(CO)N\C=C\C(c1cc2c(Sc3c(cccc3)N2)cc1)=O
SPLASH splash10-002b-6590000000-f2a4c2b4ba5287f46e2a
Source of Spectrum Y-54-1373-14
Thin-Layer Chromatography Rf = 0.66 (pet. ether (40-60)/ethyl acetate , 4:2)
Wiley ID 1878170