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RCS-4 M11 metabolite

View entire compound with spectra: 1 MS (GC)

RCS-4 M11 metabolite
SpectraBase Compound ID 2ix0yvGCaFg
InChI InChI=1S/C20H19NO3/c1-14(22)5-4-12-21-13-18(17-6-2-3-7-19(17)21)20(24)15-8-10-16(23)11-9-15/h2-3,6-11,13,23H,4-5,12H2,1H3
InChIKey PAMVOBREECCUAM-UHFFFAOYSA-N
Mol Weight 321.38 g/mol
Molecular Formula C20H19NO3
Exact Mass 321.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9R105bdtsB0
Name RCS-4 M11 metabolite
Alternate Name(s) RCS-4 N-(4-oxo-pentyl)phenol metabolite 5-(3-(4-hydroxybenozyl)-1H-indol-1-yl)pentan-2-one 5-(3-(4-hydroxybenzoyl)-1H-indol-1-yl)pentan-2-one
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Formula C20H19NO3
InChI InChI=1S/C20H19NO3/c1-14(22)5-4-12-21-13-18(17-6-2-3-7-19(17)21)20(24)15-8-10-16(23)11-9-15/h2-3,6-11,13,23H,4-5,12H2,1H3
InChIKey PAMVOBREECCUAM-UHFFFAOYSA-N
Molecular Weight 321.376 g/mol
SMILES Oc1ccc(C(=O)c2c[n](c3ccccc23)CCCC(C)=O)cc1
SPLASH splash10-00dl-8963000000-b41dc27b57250b60ed0a
Source of Spectrum SWG-33-3346-0
Wiley ID 1810190