AKB48 N-(4-hydroxypentyl) metabolite

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Systematic / IUPAC Name: N-[(3S,5S,7S)-Adamantan-1-yl]-1-(4-hydroxypentyl)-1H-indazole-3-carboxamide

ID: Reference8486

Other Names: 1H-Indazole-3-carboxamide, 1-(4-hydroxypentyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-;
1-(4-Hydroxypentyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide;
APINACA N-(4-hydroxypentyl) metabolite

Formula: C23H31N3O2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AKB48 N-(4-hydroxypentyl) metabolite mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 4
No. of Spectra 3481
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 1/8/2019 8:47:48 AM
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Identificators

InChI InChI=1S/C23H31N3O2/c1-15(27)5-4-8-26-20-7-3-2-6-19(20)21(25-26)22(28)24-23-12-16-9-17(13-23)11-18(10-16)14-23/h2-3,6-7,15-18,27H,4-5,8-14H2,1H3,(H,24,28)/t15?,16-,17+,18-,23?
InChI Key RTBQZNKCFFBCBJ-REPNGDOXSA-N
Canonical SMILES O=C(NC12C[C@H]3C[C@H](C[C@@H](C2)C3)C1)C4=NN(CCCC(O)C)C5=C4C=CC=C5
CAS 1843184417
Splash
Other Names 1H-Indazole-3-carboxamide, 1-(4-hydroxypentyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-;
1-(4-Hydroxypentyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide;
APINACA N-(4-hydroxypentyl) metabolite

In Other Databases

Cayman 14221
ChemSpider 29342120