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2-amino-6-(4-chlorophenyl)-4-(4-(4-methylpiperazin-1-yl)phenyl)-4H-pyran-3,5-dicarbonitrile
SpectraBase Compound ID 3WjFI6njoTA
InChI InChI=1S/C24H22ClN5O/c1-29-10-12-30(13-11-29)19-8-4-16(5-9-19)22-20(14-26)23(31-24(28)21(22)15-27)17-2-6-18(25)7-3-17/h2-9,22H,10-13,28H2,1H3
InChIKey NQWKQJDMMAMYDA-UHFFFAOYSA-N
Mol Weight 431.93 g/mol
Molecular Formula C24H22ClN5O
Exact Mass 431.151288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRYlfTRXzJN
Name 2-amino-6-(4-chlorophenyl)-4-(4-(4-methylpiperazin-1-yl)phenyl)-4H-pyran-3,5-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22ClN5O
InChI InChI=1S/C24H22ClN5O/c1-29-10-12-30(13-11-29)19-8-4-16(5-9-19)22-20(14-26)23(31-24(28)21(22)15-27)17-2-6-18(25)7-3-17/h2-9,22H,10-13,28H2,1H3
InChIKey NQWKQJDMMAMYDA-UHFFFAOYSA-N
Instrument Name HP 5989A
Ionization Type EI
Literature Reference DOI 10.1002_1097-0231(20001015)14_19_1783
Molecular Weight 431.927 g/mol
SMILES NC=1OC(=C(C(C1C#N)c1ccc(N2CCN(CC2)C)cc1)C#N)c1ccc(cc1)Cl
SPLASH splash10-014i-3409000000-f23c840f6d51fe0d6481
Source of Spectrum RCM-14-1784-4
Wiley ID 1839125