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5-[4-[[1-(Pyridin-2-yl)-(2S)-pyrrolidin-2-yl]methoxy]phenylmethyl]thiazolidine-2,4-dione Meleate
SpectraBase Compound ID AxIkXHdXdfb
InChI InChI=1S/C20H21N3O3S.C4H4O4/c24-19-17(27-20(25)22-19)12-14-6-8-16(9-7-14)26-13-15-4-3-11-23(15)18-5-1-2-10-21-18;5-3(6)1-2-4(7)8/h1-2,5-10,15,17H,3-4,11-13H2,(H,22,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-,17?;/m0./s1
InChIKey UBWFDRUXFSSPMO-AOSNFOGGSA-N
Mol Weight 499.54 g/mol
Molecular Formula C24H25N3O7S
Exact Mass 499.141321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuvynVcEOlV
Name 5-[4-[[1-(Pyridin-2-yl)-(2S)-pyrrolidin-2-yl]methoxy]phenylmethyl]thiazolidine-2,4-dione Meleate
Alternate Name(s) (Z)-2-butenedioic acid;5-[[4-[[(2S)-1-(2-pyridinyl)-2-pyrrolidinyl]methoxy]phenyl]methyl]thiazolidine-2,4-dione maleic acid;5-[[4-[[(2S)-1-(2-pyridyl)pyrrolidin-2-yl]methoxy]phenyl]methyl]thiazolidine-2,4-dione (Z)-but-2-enedioic acid;5-[[4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25N3O7S
InChI InChI=1S/C20H21N3O3S.C4H4O4/c24-19-17(27-20(25)22-19)12-14-6-8-16(9-7-14)26-13-15-4-3-11-23(15)18-5-1-2-10-21-18;5-3(6)1-2-4(7)8/h1-2,5-10,15,17H,3-4,11-13H2,(H,22,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-,17?;/m0./s1
InChIKey UBWFDRUXFSSPMO-AOSNFOGGSA-N
Molecular Weight 499.538 g/mol
SMILES OC(\C=C/C(=O)O)=O.N1C(C(SC1=O)Cc1ccc(OC[C@]2(N(c3ncccc3)CCC2)[H])cc1)=O
SPLASH splash10-0002-0900000000-2c17abb61c5dc859bc74
Source of Spectrum F2-42-2576-6
Wiley ID 1600239