XLR11 N-(4-pentenyl) analog

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

ID: Reference5078

Other Names: Methanone, [1-(4-penten-1-yl)-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)-;
(1-Pent-4-enylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

Formula: C21H27NO

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

XLR11 N-(4-pentenyl) analog 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 3282
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 12/20/2018 12:06:41 PM
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Identificators

InChI InChI=1S/C21H27NO/c1-6-7-10-13-22-14-16(15-11-8-9-12-17(15)22)18(23)19-20(2,3)21(19,4)5/h6,8-9,11-12,14,19H,1,7,10,13H2,2-5H3
InChI Key NXTLUQFOTQPMOD-UHFFFAOYSA-N
Canonical SMILES CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCC=C)C
CAS 1445578200
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Other Names Methanone, [1-(4-penten-1-yl)-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)-;
(1-Pent-4-enylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

In Other Databases

PubChem 90464180
ChemSpider 29341447