5-Fluoro MDMB-PICA metabolite 7

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Systematic / IUPAC Name: (S)-2-(1-(5-Fluoropentyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoic acid

ID: Reference8412

Other Names:

Formula: C20H27FN2O3

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

5-Fluoro MDMB-PICA metabolite 7 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 Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 192
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/5/2018 12:59:06 PM
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Identificators

InChI InChI=1S/C20H27FN2O3/c1-20(2,3)17(19(25)26)22-18(24)15-13-23(12-8-4-7-11-21)16-10-6-5-9-14(15)16/h5-6,9-10,13,17H,4,7-8,11-12H2,1-3H3,(H,22,24)(H,25,26)/t17-/m1/s1
InChI Key VZDMQSRBNZTURL-QGZVFWFLSA-N
Canonical SMILES O=C(N[C@H](C(O)=O)C(C)(C)C)C1=CN(CCCCCF)C2=C1C=CC=C2
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In Other Databases

Cayman 22095