5-fluoro AKB48 N-(4-hydroxypentyl) metabolite

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Systematic / IUPAC Name: N-(1-Adamantyl)-1-[(4S)-5-fluoro-4-hydroxypentyl]indazole-3-carboxamide

ID: Reference8479

Other Names: 1-(5-Fluoro-4-hydroxypentyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide

Formula: C23H30FN3O2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

5-fluoro 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.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 685
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/8/2019 8:10:16 AM
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Identificators

InChI InChI=1S/C23H30FN3O2/c24-14-18(28)4-3-7-27-20-6-2-1-5-19(20)21(26-27)22(29)25-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-2,5-6,15-18,28H,3-4,7-14H2,(H,25,29)/t15-,16+,17-,18?,23?
InChI Key BOGHQNVNYXAOJR-MQBSCMHJSA-N
Canonical SMILES O=C(NC12C[C@H]3C[C@H](C[C@@H](C2)C3)C1)C4=NN(CCCC(O)CF)C5=C4C=CC=C5
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Other Names 1-(5-Fluoro-4-hydroxypentyl)-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide

In Other Databases

Cayman 14222
PubChem 124519278
ChemSpider 29342121