A-834735 Degradant

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Systematic / IUPAC Name: 3,3,4-Trimethyl-1-[1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-indol-3-yl]-4-penten-1-one

ID: Reference5450

Other Names: 3,3,4-Trimethyl-1-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-indol-3-yl)pent-4-en-1-one;
4-Penten-1-one, 3,3,4-trimethyl-1-[1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-indol-3-yl]-

Formula: C22H29NO2

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

A-834735 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 Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/5/2016 1:35:01 PM
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Identificators

InChI InChI=1S/C22H29NO2/c1-16(2)22(3,4)13-21(24)19-15-23(14-17-9-11-25-12-10-17)20-8-6-5-7-18(19)20/h5-8,15,17H,1,9-14H2,2-4H3
InChI Key SHMFIOCKSMJXSG-UHFFFAOYSA-N
Canonical SMILES
CAS
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Other Names 3,3,4-Trimethyl-1-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-indol-3-yl)pent-4-en-1-one;
4-Penten-1-one, 3,3,4-trimethyl-1-[1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-indol-3-yl]-

In Other Databases

ChemSpider 29341796