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5-Fluoro-AKB48 N-(5-hydroxypentyl) metabolite
SpectraBase Compound ID 8Cd3Dmv1zJG
InChI InChI=1S/C23H30FN3O2/c24-14-18(28)4-3-7-27-20-6-2-1-5-19(20)21(26-27)22(29)25-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-2,5-6,15-18,28H,3-4,7-14H2,(H,25,29)/t15-,16+,17-,18?,23-
InChIKey BOGHQNVNYXAOJR-ZEPPPVFGSA-N
Mol Weight 399.51 g/mol
Molecular Formula C23H30FN3O2
Exact Mass 399.232205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOxlDaNZgNO
Name 5-Fluoro-AKB48 N-(5-hydroxypentyl) metabolite
Alternate Name(s) 5-Fluoro-APINACA N-(4-hydroxypentyl) metabolite N-((3s,5s,7s)-adamantan-1-yl)-1-(5-fluoro-4-hydroxypentyl)-1H-indazole-3-carboxamide 5F-AKB48 N-(5-hydroxypentyl) metabolite 5F-APINACA N-(4-hydroxypentyl) metabolite N-(adamantan-1-yl)-1-(5-fluoro-4-hydroxypentyl)-1H-indazole-3-carboxamide N-((1s,3s)-adamantan-1-yl)-1-(5-fluoro-4-hydroxypentyl)-1H-indazole-3-carboxamide
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Formula C23H30FN3O2
InChI InChI=1S/C23H30FN3O2/c24-14-18(28)4-3-7-27-20-6-2-1-5-19(20)21(26-27)22(29)25-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-2,5-6,15-18,28H,3-4,7-14H2,(H,25,29)/t15-,16+,17-,18?,23-
InChIKey BOGHQNVNYXAOJR-ZEPPPVFGSA-N
Molecular Weight 399.510 g/mol
SMILES N(C(c1n[n](CCCC(CF)O)c2ccccc12)=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H]
SPLASH splash10-0002-5953000000-59165bd1c832c5332f73
Source of Spectrum SWG-33-3512-0
Wiley ID 1810314