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2-amino-4-(4-(4-methylpiperazin-1-yl)phenyl)-6-(4-(trifluoromethyl)phenyl)-4H-pyran-3,5-dicarbonitrile
SpectraBase Compound ID 4gmqoPTomwr
InChI InChI=1S/C25H22F3N5O/c1-32-10-12-33(13-11-32)19-8-4-16(5-9-19)22-20(14-29)23(34-24(31)21(22)15-30)17-2-6-18(7-3-17)25(26,27)28/h2-9,22H,10-13,31H2,1H3
InChIKey GLXJJEVHADXOFS-UHFFFAOYSA-N
Mol Weight 465.48 g/mol
Molecular Formula C25H22F3N5O
Exact Mass 465.177645 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0a0VjY1Tbf
Name 2-amino-4-(4-(4-methylpiperazin-1-yl)phenyl)-6-(4-(trifluoromethyl)phenyl)-4H-pyran-3,5-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22F3N5O
InChI InChI=1S/C25H22F3N5O/c1-32-10-12-33(13-11-32)19-8-4-16(5-9-19)22-20(14-29)23(34-24(31)21(22)15-30)17-2-6-18(7-3-17)25(26,27)28/h2-9,22H,10-13,31H2,1H3
InChIKey GLXJJEVHADXOFS-UHFFFAOYSA-N
Instrument Name HP 5989A
Ionization Type EI
Literature Reference DOI 10.1002_1097-0231(20001015)14_19_1783
Molecular Weight 465.480 g/mol
SMILES NC=1OC(=C(C(C1C#N)c1ccc(N2CCN(CC2)C)cc1)C#N)c1ccc(cc1)C(F)(F)F
SPLASH splash10-0002-1309000000-db272f8f664e572de758
Source of Spectrum RCM-14-1784-5
Wiley ID 1839126