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3-((5-(hydrazinyl)-1,3,4-oxadiazol-2-yl)methyl)-6-iodo-2-(phenylamino)quinazolin-4(3H)-one
SpectraBase Compound ID JODBZcPR8nA
InChI InChI=1S/C17H14IN7O2/c18-10-6-7-13-12(8-10)15(26)25(9-14-23-24-17(22-19)27-14)16(21-13)20-11-4-2-1-3-5-11/h1-8H,9,19H2,(H,20,21)(H,22,24)
InChIKey KFSWYRYVDPAJGD-UHFFFAOYSA-N
Mol Weight 475.25 g/mol
Molecular Formula C17H14IN7O2
Exact Mass 475.025368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4CnJ2mvnjE
Name 3-((5-(hydrazinyl)-1,3,4-oxadiazol-2-yl)methyl)-6-iodo-2-(phenylamino)quinazolin-4(3H)-one
Appearance Green crystals
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Formula C17H14IN7O2
InChI InChI=1S/C17H14IN7O2/c18-10-6-7-13-12(8-10)15(26)25(9-14-23-24-17(22-19)27-14)16(21-13)20-11-4-2-1-3-5-11/h1-8H,9,19H2,(H,20,21)(H,22,24)
InChIKey KFSWYRYVDPAJGD-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2953
Molecular Weight 475.250 g/mol
SMILES N(N)c1nnc(CN2C(=Nc3c(C2=O)cc(cc3)I)Nc2ccccc2)o1
SPLASH splash10-0032-3924700000-bb28d01a3c504516cb01
Source of Spectrum Y-54-3338-12
Wiley ID 1878668