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ADB-PINACA N-(4-hydroxypentyl) metabolite

View entire compound with spectra: 1 MS (GC)

ADB-PINACA N-(4-hydroxypentyl) metabolite
SpectraBase Compound ID 8nXur0TfEoT
InChI InChI=1S/C19H28N4O3/c1-12(24)8-7-11-23-14-10-6-5-9-13(14)15(22-23)18(26)21-16(17(20)25)19(2,3)4/h5-6,9-10,12,16,24H,7-8,11H2,1-4H3,(H2,20,25)(H,21,26)/t12?,16-/m0/s1
InChIKey PLWUNCALBOFEBI-INSVYWFGSA-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 BWVba0pv6
Name ADB-PINACA N-(4-hydroxypentyl) metabolite
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28N4O3
InChI InChI=1S/C19H28N4O3/c1-12(24)8-7-11-23-14-10-6-5-9-13(14)15(22-23)18(26)21-16(17(20)25)19(2,3)4/h5-6,9-10,12,16,24H,7-8,11H2,1-4H3,(H2,20,25)(H,21,26)/t12?,16-/m0/s1
InChIKey PLWUNCALBOFEBI-INSVYWFGSA-N
Molecular Weight 360.458 g/mol
SMILES N(C(c1n[n](CCCC(C)O)c2ccccc12)=O)[C@@](C(N)=O)(C(C)(C)C)[H]
SPLASH splash10-02u1-5984000000-31ec4d64d7ca82baaa28
Source of Spectrum SWG-33-3556-0
Synonyms N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(4-hydroxypentyl)-1H-indazole-3-carboxamide N-((R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(4-hydroxypentyl)-1H-indazole-3-carboxamide
Wiley ID 1810344