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4-Amino-7-chloro-1-(5-(1,3-dioxoisoindolin-2-yl)pentan-2-yl)quinolinium bromide
SpectraBase Compound ID BMK6pVXTh7b
InChI InChI=1S/C22H20ClN3O2.BrH/c1-14(25-12-10-19(24)18-9-8-15(23)13-20(18)25)5-4-11-26-21(27)16-6-2-3-7-17(16)22(26)28;/h2-3,6-10,12-14,24H,4-5,11H2,1H3;1H
InChIKey QBLOHUBBYHMRPK-UHFFFAOYSA-N
Mol Weight 474.786 g/mol
Molecular Formula C22H21BrClN3O2
Exact Mass 473.050568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EL56ytaIypr
Name 4-Amino-7-chloro-1-(5-(1,3-dioxoisoindolin-2-yl)pentan-2-yl)quinolinium bromide
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21BrClN3O2
InChI InChI=1S/C22H20ClN3O2.BrH/c1-14(25-12-10-19(24)18-9-8-15(23)13-20(18)25)5-4-11-26-21(27)16-6-2-3-7-17(16)22(26)28;/h2-3,6-10,12-14,24H,4-5,11H2,1H3;1H
InChIKey QBLOHUBBYHMRPK-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Molecular Weight 474.786 g/mol
SMILES Nc1cc[n+](c2c1ccc(c2)Cl)C(C)CCCN1C(c2c(C1=O)cccc2)=O.[Br-]
SPLASH splash10-03dl-0904000000-b09f15540cc1934edc4b
Source of Spectrum WO2012041493A1
Wiley ID 1845353