MAB-CHMINACA metabolite M1

SpectraBase Compound ID	CnIpzKD9CFn
InChI	InChI=1S/C21H30N4O3/c1-21(2,3)18(19(22)27)23-20(28)17-15-6-4-5-7-16(15)25(24-17)12-13-8-10-14(26)11-9-13/h4-7,13-14,18,26H,8-12H2,1-3H3,(H2,22,27)(H,23,28)
InChIKey	WTNUEUMGTOEHAA-UHFFFAOYSA-N Google Search
Mol Weight	386.5 g/mol
Molecular Formula	C21H30N4O3
Exact Mass	386.231791 g/mol

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SpectraBase Spectrum ID	5NSnYeBe7rs
Name	MAB-CHMINACA metabolite M1
Alternate Name(s)	ADB-CHMINACA metabolite M1 N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-(1-((4-hydroxycyclohexyl)methyl)-1H-indazole-3-carboxamide N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-((4-hydroxycyclohexyl)methyl)-1H-indazole-3-carboxamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H30N4O3
InChI	InChI=1S/C21H30N4O3/c1-21(2,3)18(19(22)27)23-20(28)17-15-6-4-5-7-16(15)25(24-17)12-13-8-10-14(26)11-9-13/h4-7,13-14,18,26H,8-12H2,1-3H3,(H2,22,27)(H,23,28)
InChIKey	WTNUEUMGTOEHAA-UHFFFAOYSA-N
Molecular Weight	386.496 g/mol
SMILES	N(C(c1n[n](CC2CCC(CC2)O)c2ccccc12)=O)C(C(N)=O)C(C)(C)C
SPLASH	splash10-0a4l-8894000000-8d09545cdfbad80011bc
Source of Spectrum	SWG-33-4332-0
Wiley ID	1810948