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2-Amino-3-cyano-4-(benzo[d][1,3]dioxol-6-yl)-6-(10,10a-dihydro-4aH-phenothiazin-2-yl)pyridine
SpectraBase Compound ID FLD186QjIUn
InChI InChI=1S/C25H18N4O2S/c26-12-17-16(14-5-7-21-22(10-14)31-13-30-21)11-19(29-25(17)27)15-6-8-24-20(9-15)28-18-3-1-2-4-23(18)32-24/h1-11,20,24,28H,13H2,(H2,27,29)
InChIKey LLGSHABKQWUNOW-UHFFFAOYSA-N
Mol Weight 438.51 g/mol
Molecular Formula C25H18N4O2S
Exact Mass 438.115047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GU452Hzj6gw
Name 2-Amino-3-cyano-4-(benzo[d][1,3]dioxol-6-yl)-6-(10,10a-dihydro-4aH-phenothiazin-2-yl)pyridine
Appearance Dark orange crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18N4O2S
InChI InChI=1S/C25H18N4O2S/c26-12-17-16(14-5-7-21-22(10-14)31-13-30-21)11-19(29-25(17)27)15-6-8-24-20(9-15)28-18-3-1-2-4-23(18)32-24/h1-11,20,24,28H,13H2,(H2,27,29)
InChIKey LLGSHABKQWUNOW-UHFFFAOYSA-N
Instrument Name Kratos and Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3771
Molecular Weight 438.505 g/mol
SMILES Nc1nc(C2=CC3C(Sc4c(cccc4)N3)C=C2)cc(c1C#N)-c1cc2c(OCO2)cc1
SPLASH splash10-000i-0010900000-3710cf0e24434009d6b9
Source of Spectrum Y-57-264-11a
Thin-Layer Chromatography Rf = 0.68, (PE (40-60): EtOAc, 4:1)
Wiley ID 1859765