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ADB-PINACA N-(5-hydroxypentyl) metabolite
SpectraBase Compound ID 6KMmeDjMqOV
InChI InChI=1S/C19H28N4O3/c1-19(2,3)16(17(20)25)21-18(26)15-13-9-5-6-10-14(13)23(22-15)11-7-4-8-12-24/h5-6,9-10,16,24H,4,7-8,11-12H2,1-3H3,(H2,20,25)(H,21,26)/t16-/m0/s1
InChIKey SATSPSXEJHKPRR-INIZCTEOSA-N
Mol Weight 360.46 g/mol
Molecular Formula C19H28N4O3
Exact Mass 360.216141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEvbLfInRUd
Name ADB-PINACA N-(5-hydroxypentyl) metabolite
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Formula C19H28N4O3
InChI InChI=1S/C19H28N4O3/c1-19(2,3)16(17(20)25)21-18(26)15-13-9-5-6-10-14(13)23(22-15)11-7-4-8-12-24/h5-6,9-10,16,24H,4,7-8,11-12H2,1-3H3,(H2,20,25)(H,21,26)/t16-/m0/s1
InChIKey SATSPSXEJHKPRR-INIZCTEOSA-N
Molecular Weight 360.458 g/mol
SMILES N(C(c1n[n](CCCCCO)c2ccccc12)=O)[C@@](C(N)=O)(C(C)(C)C)[H]
SPLASH splash10-02u1-5985000000-bbe436cd29c2f4ff06f4
Source of Spectrum SWG-33-3555-0
Synonyms N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-hydroxypentyl)-1H-indazole-3-carboxamide (R)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-hydroxypentyl)-1H-indazole-3-carboxamide
Wiley ID 1810343