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AB-PINACA N-(4-hydroxypentyl) metabolite

View entire compound with spectra: 1 MS (GC)

AB-PINACA N-(4-hydroxypentyl) metabolite
SpectraBase Compound ID 1DsEyAgVmzE
InChI InChI=1S/C18H26N4O3/c1-11(2)15(17(19)24)20-18(25)16-13-8-4-5-9-14(13)22(21-16)10-6-7-12(3)23/h4-5,8-9,11-12,15,23H,6-7,10H2,1-3H3,(H2,19,24)(H,20,25)/t12?,15-/m1/s1
InChIKey FKWGAWHIQBKZHO-WPZCJLIBSA-N
Mol Weight 346.43 g/mol
Molecular Formula C18H26N4O3
Exact Mass 346.200491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ecxc0ikzct
Name AB-PINACA N-(4-hydroxypentyl) metabolite
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N4O3
InChI InChI=1S/C18H26N4O3/c1-11(2)15(17(19)24)20-18(25)16-13-8-4-5-9-14(13)22(21-16)10-6-7-12(3)23/h4-5,8-9,11-12,15,23H,6-7,10H2,1-3H3,(H2,19,24)(H,20,25)/t12?,15-/m1/s1
InChIKey FKWGAWHIQBKZHO-WPZCJLIBSA-N
Molecular Weight 346.431 g/mol
SMILES N(C(c1n[n](CCCC(C)O)c2ccccc12)=O)[C@@](C(=O)N)(C(C)C)[H]
SPLASH splash10-0w31-5985000000-3974c419ca4eb5d557e5
Source of Spectrum SWG-33-3547-0
Synonyms N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-hydroxypentyl)-1H-indazole-3-carboxamide N-((R)-1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-hydroxypentyl)-1H-indazole-3-carboxamide
Wiley ID 1810337