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2-[(Phenylsulfonyl)amino]ethyl]-4-(3-pyridyl)-1(2H)-phthalazinone
SpectraBase Compound ID ouPpl4PyZp
InChI InChI=1S/C21H18N4O3S/c26-21-19-11-5-4-10-18(19)20(16-7-6-12-22-15-16)24-25(21)14-13-23-29(27,28)17-8-2-1-3-9-17/h1-12,15,23H,13-14H2
InChIKey XXQNOKPUYCXFHU-UHFFFAOYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C21H18N4O3S
Exact Mass 406.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9T0Fyzg5QHH
Name 2-[(Phenylsulfonyl)amino]ethyl]-4-(3-pyridyl)-1(2H)-phthalazinone
Alternate Name(s) N-[2-[1-oxo-4-(3-pyridinyl)-2-phthalazinyl]ethyl]benzenesulfonamide N-[2-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)ethyl]benzenesulfonamide N-[2-[1-oxo-4-(3-pyridyl)phthalazin-2-yl]ethyl]benzenesulfonamide N-[2-(1-oxidanylidene-4-pyridin-3-yl-phthalazin-2-yl)ethyl]benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C21H18N4O3S
InChI InChI=1S/C21H18N4O3S/c26-21-19-11-5-4-10-18(19)20(16-7-6-12-22-15-16)24-25(21)14-13-23-29(27,28)17-8-2-1-3-9-17/h1-12,15,23H,13-14H2
InChIKey XXQNOKPUYCXFHU-UHFFFAOYSA-N
Molecular Weight 406.460 g/mol
SMILES N(S(=O)(=O)c1ccccc1)CCN1N=C(c2c(cccc2)C1=O)c1cnccc1
SPLASH splash10-0a4i-0090000000-5f92c2ed49eef7ec4cbd
Source of Spectrum E1-36-4066-10
Wiley ID 1574846