XLR11 N-(4-hydroxypentyl) metabolite

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Systematic / IUPAC Name: [1-(5-Fluoro-4-hydroxypentyl)-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone

ID: Reference6240

Other Names: Methanone, [1-(5-fluoro-4-hydroxypentyl)-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)-

Formula: C21H28FNO2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

XLR11 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 ; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 2296
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 1/8/2019 8:05:07 AM
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Identificators

InChI InChI=1S/C21H28FNO2/c1-20(2)19(21(20,3)4)18(25)16-13-23(11-7-8-14(24)12-22)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,19,24H,7-8,11-12H2,1-4H3
InChI Key MDPXVRYUGDTVIS-UHFFFAOYSA-N
Canonical SMILES CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCC(CF)O)C
CAS 1782099368
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Other Names Methanone, [1-(5-fluoro-4-hydroxypentyl)-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)-

In Other Databases

ChemSpider 29341425
PubChem 90464177