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N-(5-bromo-2-(4-(4-methylbenzyl)piperazin-1-yl)phenyl)-2-imino-2H-chromene-3-carboxamide
SpectraBase Compound ID EenAKzvA0WI
InChI InChI=1S/C28H27BrN4O2/c1-19-6-8-20(9-7-19)18-32-12-14-33(15-13-32)25-11-10-22(29)17-24(25)31-28(34)23-16-21-4-2-3-5-26(21)35-27(23)30/h2-11,16-17,30H,12-15,18H2,1H3,(H,31,34)
InChIKey VFJDXWPCHOGUGT-UHFFFAOYSA-N
Mol Weight 531.45 g/mol
Molecular Formula C28H27BrN4O2
Exact Mass 530.131739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkYRAq2ooFx
Name N-(5-bromo-2-(4-(4-methylbenzyl)piperazin-1-yl)phenyl)-2-imino-2H-chromene-3-carboxamide
Appearance Yellow soild
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27BrN4O2
InChI InChI=1S/C28H27BrN4O2/c1-19-6-8-20(9-7-19)18-32-12-14-33(15-13-32)25-11-10-22(29)17-24(25)31-28(34)23-16-21-4-2-3-5-26(21)35-27(23)30/h2-11,16-17,30H,12-15,18H2,1H3,(H,31,34)
InChIKey VFJDXWPCHOGUGT-UHFFFAOYSA-N
Instrument Name Agilent 7890 A
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202100599
Molecular Weight 531.454 g/mol
SMILES N(c1c(ccc(Br)c1)N1CCN(CC1)Cc1ccc(cc1)C)C(C=1C(Oc2c(C1)cccc2)=N)=O
SPLASH splash10-08ml-5900000000-62d488f1215b4a6daac2
Source of Spectrum CBD-19-SM10-10d
Wiley ID 1870045