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N-[9-[[1-hydroxy-2-(phenylmethoxymethyl)cyclohexyl]methyl]-6-purinyl]methanesulfonamide
SpectraBase Compound ID 7aFIVsl6V4M
InChI InChI=1S/C21H27N5O4S/c1-31(28,29)25-19-18-20(23-14-22-19)26(15-24-18)13-21(27)10-6-5-9-17(21)12-30-11-16-7-3-2-4-8-16/h2-4,7-8,14-15,17,27H,5-6,9-13H2,1H3,(H,22,23,25)
InChIKey TXLFEQKNJNKTCY-UHFFFAOYSA-N
Mol Weight 445.54 g/mol
Molecular Formula C21H27N5O4S
Exact Mass 445.178376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELA20EO9glY
Name N-[9-[[1-hydroxy-2-(phenylmethoxymethyl)cyclohexyl]methyl]-6-purinyl]methanesulfonamide
Alternate Name(s) N-[9-[[1-hydroxy-2-(phenylmethoxymethyl)cyclohexyl]methyl]purin-6-yl]methanesulfonamide N-[9-[[1-oxidanyl-2-(phenylmethoxymethyl)cyclohexyl]methyl]purin-6-yl]methanesulfonamide N-[9-[[2-(benzoxymethyl)-1-hydroxy-cyclohexyl]methyl]purin-6-yl]methanesulfonamide N-[9-[[2-(benzyloxymethyl)-1-hydroxy-cyclohexyl]methyl]purin-6-yl]methanesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C21H27N5O4S
InChI InChI=1S/C21H27N5O4S/c1-31(28,29)25-19-18-20(23-14-22-19)26(15-24-18)13-21(27)10-6-5-9-17(21)12-30-11-16-7-3-2-4-8-16/h2-4,7-8,14-15,17,27H,5-6,9-13H2,1H3,(H,22,23,25)
InChIKey TXLFEQKNJNKTCY-UHFFFAOYSA-N
Molecular Weight 445.538 g/mol
SMILES N(S(=O)(=O)C)c1c2c([n](CC3(C(COCc4ccccc4)CCCC3)O)cn2)ncn1
SPLASH splash10-0006-9000000000-8f98048f79c0282c7a36
Source of Spectrum J-65-5184-48
Wiley ID 1533020