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N-(2-(4-benzylpiperazin-1-yl)-5-bromophenyl)-2-imino-2H-chromene-3-carboxamide
SpectraBase Compound ID IqCylnWghWZ
InChI InChI=1S/C27H25BrN4O2/c28-21-10-11-24(32-14-12-31(13-15-32)18-19-6-2-1-3-7-19)23(17-21)30-27(33)22-16-20-8-4-5-9-25(20)34-26(22)29/h1-11,16-17,29H,12-15,18H2,(H,30,33)
InChIKey HSSQZTUBGOSCDN-UHFFFAOYSA-N
Mol Weight 517.43 g/mol
Molecular Formula C27H25BrN4O2
Exact Mass 516.116089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KMzAHjk06l
Name N-(2-(4-benzylpiperazin-1-yl)-5-bromophenyl)-2-imino-2H-chromene-3-carboxamide
Appearance Yellow soild
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25BrN4O2
InChI InChI=1S/C27H25BrN4O2/c28-21-10-11-24(32-14-12-31(13-15-32)18-19-6-2-1-3-7-19)23(17-21)30-27(33)22-16-20-8-4-5-9-25(20)34-26(22)29/h1-11,16-17,29H,12-15,18H2,(H,30,33)
InChIKey HSSQZTUBGOSCDN-UHFFFAOYSA-N
Instrument Name Agilent 7890 A
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202100599
Molecular Weight 517.427 g/mol
SMILES N(c1c(N2CCN(Cc3ccccc3)CC2)ccc(c1)Br)C(C=1C(Oc2c(C1)cccc2)=N)=O
SPLASH splash10-00r7-5911000000-7029ace51415adf93e7b
Source of Spectrum CBD-19-SM4-10a
Wiley ID 1870044