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N-(6-Methyl-2-oxo-5-{1-[(1,2,4-triazolo[4,3-b]pyridazin-6-yl)hydrazono]ethyl}-2H-pyran-3-yl)benzamide
SpectraBase Compound ID D7TU9CTrbur
InChI InChI=1S/C20H17N7O3/c1-12(23-24-17-8-9-18-25-21-11-27(18)26-17)15-10-16(20(29)30-13(15)2)22-19(28)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,28)(H,24,26)/b23-12+
InChIKey HTCJTESUAXCYNV-FSJBWODESA-N
Mol Weight 403.4 g/mol
Molecular Formula C20H17N7O3
Exact Mass 403.139287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWE1YdE40bG
Name N-(6-Methyl-2-oxo-5-{1-[(1,2,4-triazolo[4,3-b]pyridazin-6-yl)hydrazono]ethyl}-2H-pyran-3-yl)benzamide
Alternate Name(s) N-{6-methyl-2-oxo-5-[(1E)-N-[1,2,4]triazolo[4,3-b]pyridazin-6-ylethanehydrazonoyl]-2H-pyran-3-yl}benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N7O3
InChI InChI=1S/C20H17N7O3/c1-12(23-24-17-8-9-18-25-21-11-27(18)26-17)15-10-16(20(29)30-13(15)2)22-19(28)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,28)(H,24,26)/b23-12+
InChIKey HTCJTESUAXCYNV-FSJBWODESA-N
Molecular Weight 403.402 g/mol
SMILES N(C(c1ccccc1)=O)C1=CC(\C(=N\NC=2C=Cc3[n](N2)cnn3)C)=C(OC1=O)C
SPLASH splash10-0a4i-0900000000-3ea315242dda4465da76
Source of Spectrum O1-61-110-3
Wiley ID 1592335