AKB48 N-(5-hydroxypentyl) metabolite

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Systematic / IUPAC Name: N-(1-Adamantyl)-1-(5-hydroxypentyl)indazole-3-carboxamide

ID: Reference8478

Other Names: 1-(5-Hydroxypentyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide;
1H-Indazole-3-carboxamide, 1-(5-hydroxypentyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-

Formula: C23H31N3O2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AKB48 N-(5-hydroxypentyl) metabolite mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 2
No. of Spectra 1054
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/8/2019 8:08:28 AM
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Identificators

InChI InChI=1S/C23H31N3O2/c27-9-5-1-4-8-26-20-7-3-2-6-19(20)21(25-26)22(28)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18,27H,1,4-5,8-15H2,(H,24,28)
InChI Key JHUVNYPOUNCRTP-UHFFFAOYSA-N
Canonical SMILES C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C5=CC=CC=C54)CCCCCO
CAS 1778734772
Splash
Other Names 1-(5-Hydroxypentyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide;
1H-Indazole-3-carboxamide, 1-(5-hydroxypentyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-

In Other Databases

PubChem 124518882
Cayman 14223
ChemSpider 29342123