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ADB-5'Br-BUTINACA
SpectraBase Compound ID JSkjqAPWgsc
InChI InChI=1S/C18H25BrN4O2/c1-5-6-9-23-13-8-7-11(19)10-12(13)14(22-23)17(25)21-15(16(20)24)18(2,3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H2,20,24)(H,21,25)/t15-/m1/s1
InChIKey DIOILIVJIIJFPO-OAHLLOKOSA-N
Mol Weight 409.33 g/mol
Molecular Formula C18H25BrN4O2
Exact Mass 408.116089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8H7ivLf7n9M
Name ADB-B-5Br-INACA
Classification Indazolecarboxamide cannabinoid designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 408.116089059 u
Formula C18H25BrN4O2
InChI InChI=1S/C18H25BrN4O2/c1-5-6-9-23-13-8-7-11(19)10-12(13)14(22-23)17(25)21-15(16(20)24)18(2,3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H2,20,24)(H,21,25)/t15-/m1/s1
InChIKey DIOILIVJIIJFPO-OAHLLOKOSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 409.328 g/mol
Nominal Mass 408 u
Quality 977
Retention Index 3062
SMILES NC([C@@](NC(C=1C=2C(N(N1)CCCC)=CC=C(C2)Br)=O)(C(C)(C)C)[H])=O
SPLASH splash10-0059-2294000000-7f809f351bff4d155381
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-((2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-bromo-1-butyl-1H-indazole-3-carboxamide
Technique GC/MS
Wiley ID DD2024_033684