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3-[1,1-dideuterio-3-(4-phenyl-1-piperazinyl)propyl]-1H-quinazoline-2,4-dione
SpectraBase Compound ID AGLh2nzBz8G
InChI InChI=1S/C21H24N4O2/c26-20-18-9-4-5-10-19(18)22-21(27)25(20)12-6-11-23-13-15-24(16-14-23)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,27)/i12D2
InChIKey WPKPLSFHHBBLRY-XUWBISKJSA-N
Mol Weight 366.46 g/mol
Molecular Formula C21H22D2N4O2
Exact Mass 366.20248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZOrf0cQwiL
Name 3-[1,1-dideuterio-3-(4-phenyl-1-piperazinyl)propyl]-1H-quinazoline-2,4-dione
Alternate Name(s) 3-[1,1-dideuterio-3-(4-phenylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione 3-[1,1-dideuterio-3-(4-phenylpiperazino)propyl]-1H-quinazoline-2,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22D2N4O2
InChI InChI=1S/C21H24N4O2/c26-20-18-9-4-5-10-19(18)22-21(27)25(20)12-6-11-23-13-15-24(16-14-23)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,27)/i12D2
InChIKey WPKPLSFHHBBLRY-XUWBISKJSA-N
Molecular Weight 366.461 g/mol
SMILES N1c2c(C(N(C1=O)C(CCN1CCN(CC1)c1ccccc1)([D])[D])=O)cccc2
SPLASH splash10-004i-0932000000-a21137eecf738cc954ce
Source of Spectrum SK-30-2711-1
Wiley ID 881502