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2-Amino-3'-(diethylamino)methyl-4'-hydroxy-6-(dimethylaminosulfonyl)isoflavone
SpectraBase Compound ID Ih56KYZw6Tq
InChI InChI=1S/C22H27N3O5S/c1-5-25(6-2)13-15-11-14(7-9-18(15)26)20-21(27)17-12-16(31(28,29)24(3)4)8-10-19(17)30-22(20)23/h7-12,26H,5-6,13,23H2,1-4H3
InChIKey QNRLHJUBMPDOPX-UHFFFAOYSA-N
Mol Weight 445.53 g/mol
Molecular Formula C22H27N3O5S
Exact Mass 445.167142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vClWMdRlAw
Name 2-Amino-3'-(diethylamino)methyl-4'-hydroxy-6-(dimethylaminosulfonyl)isoflavone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27N3O5S
InChI InChI=1S/C22H27N3O5S/c1-5-25(6-2)13-15-11-14(7-9-18(15)26)20-21(27)17-12-16(31(28,29)24(3)4)8-10-19(17)30-22(20)23/h7-12,26H,5-6,13,23H2,1-4H3
InChIKey QNRLHJUBMPDOPX-UHFFFAOYSA-N
Molecular Weight 445.534 g/mol
SMILES NC1=C(c2ccc(c(c2)CN(CC)CC)O)C(c2c(O1)ccc(c2)S(N(C)C)(=O)=O)=O
SPLASH splash10-0abc-9221000000-55f9bcb64daa33b34467
Source of Spectrum O-28-92-0
Synonyms 2-Amino-3-{3-[(diethylamino)methyl]-4-hydroxyphenyl}-N,N-dimethyl-4-oxo-4H-chromene-6-sulfonamide
Wiley ID 1386326