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2-Amino-3'-(dimethylamino)methyl-4'-hydroxy-6-(dimethylaminosulfonyl)isoflavone
SpectraBase Compound ID 12QIM6uYaTA
InChI InChI=1S/C20H23N3O5S/c1-22(2)11-13-9-12(5-7-16(13)24)18-19(25)15-10-14(29(26,27)23(3)4)6-8-17(15)28-20(18)21/h5-10,24H,11,21H2,1-4H3
InChIKey CUUBFGYZIHQQBC-UHFFFAOYSA-N
Mol Weight 417.48 g/mol
Molecular Formula C20H23N3O5S
Exact Mass 417.135842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVrdrptWL4f
Name 2-Amino-3'-(dimethylamino)methyl-4'-hydroxy-6-(dimethylaminosulfonyl)isoflavone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23N3O5S
InChI InChI=1S/C20H23N3O5S/c1-22(2)11-13-9-12(5-7-16(13)24)18-19(25)15-10-14(29(26,27)23(3)4)6-8-17(15)28-20(18)21/h5-10,24H,11,21H2,1-4H3
InChIKey CUUBFGYZIHQQBC-UHFFFAOYSA-N
Molecular Weight 417.480 g/mol
SMILES NC1=C(c2ccc(c(c2)CN(C)C)O)C(c2c(O1)ccc(c2)S(N(C)C)(=O)=O)=O
SPLASH splash10-0006-9000000000-1eea88f47d5e4dd9d65e
Source of Spectrum O-28-92-0
Synonyms 2-Amino-3-{3-[(dimethylamino)methyl]-4-hydroxyphenyl}-N,N-dimethyl-4-oxo-4H-chromene-6-sulfonamide
Wiley ID 1376798