UR-144 Degradant

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Systematic / IUPAC Name: 3,3,4-Trimethyl-1-(1-pentyl-1H-indol-3-yl)-4-penten-1-one

ID: Reference5318

Other Names: 4-Penten-1-one, 3,3,4-trimethyl-1-(1-pentyl-1H-indol-3-yl)-;
KM-X1 Degradant ;
UR-144 3,3,4-Trimethylpentenoyl isomer

Formula: C21H29NO

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

UR-144 Degradant 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 1056
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 12/20/2018 12:27:15 PM
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Identificators

InChI InChI=1S/C21H29NO/c1-6-7-10-13-22-15-18(17-11-8-9-12-19(17)22)20(23)14-21(4,5)16(2)3/h8-9,11-12,15H,2,6-7,10,13-14H2,1,3-5H3
InChI Key NBJHWTCAQOYUND-UHFFFAOYSA-N
Canonical SMILES O=C(CC(C)(C)C(C)=C)C1=CN(CCCCC)C2=C1C=CC=C2
CAS 1609273882
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Other Names 4-Penten-1-one, 3,3,4-trimethyl-1-(1-pentyl-1H-indol-3-yl)-;
KM-X1 Degradant ;
UR-144 3,3,4-Trimethylpentenoyl isomer

In Other Databases

ChemSpider 29341797