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1-allyl-3-[(2-ketoindol-3-yl)amino]-2-thioxo-imidazolidine-4,5-quinone
SpectraBase Compound ID AqaIhT9iDLE
InChI InChI=1S/C14H10N4O3S/c1-2-7-17-12(20)13(21)18(14(17)22)16-10-8-5-3-4-6-9(8)15-11(10)19/h2-6H,1,7H2,(H,15,16,19)
InChIKey SJORQOCFNCZOCK-UHFFFAOYSA-N
Mol Weight 314.32 g/mol
Molecular Formula C14H10N4O3S
Exact Mass 314.047361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xxPEuoXRd8
Name 1-allyl-3-[(2-ketoindol-3-yl)amino]-2-thioxo-imidazolidine-4,5-quinone
Alternate Name(s) 1-allyl-3-[(2-oxoindol-3-yl)amino]-2-thioxo-imidazolidine-4,5-dione 1-[(2-oxidanylideneindol-3-yl)amino]-3-prop-2-enyl-2-sulfanylidene-imidazolidine-4,5-dione 1-[(2-oxo-3-indolyl)amino]-3-prop-2-enyl-2-sulfanylideneimidazolidine-4,5-dione 1-[(2-oxoindol-3-yl)amino]-3-prop-2-enyl-2-sulfanylideneimidazolidine-4,5-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10N4O3S
InChI InChI=1S/C14H10N4O3S/c1-2-7-17-12(20)13(21)18(14(17)22)16-10-8-5-3-4-6-9(8)15-11(10)19/h2-6H,1,7H2,(H,15,16,19)
InChIKey SJORQOCFNCZOCK-UHFFFAOYSA-N
Molecular Weight 314.319 g/mol
SMILES N1c2c(\C(C1=O)=N\N1C(C(=O)N(C1=S)CC=C)=O)cccc2
SPLASH splash10-03di-9000000000-a83e089be0fb6ce195f1
Source of Spectrum D8-331-257-3
Wiley ID 1516620