N1-(3-Methoxyphenyl)-2-cyano-3-(4-methylpiperidino)-3-oxopropanethioamide

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Systematic / IUPAC Name: 2-Cyano-N-(3-methoxyphenyl)-3-(4-methyl-1-piperidinyl)-3-oxopropanethioamide

ID: Reference5606

Other Names: 1-Piperidinepropanethioamide, α-cyano-N-(3-methoxyphenyl)-4-methyl-β-oxo-

Formula: C17H21N3O2S

Spectral Data

N1-(3-Methoxyphenyl)-2-cyano-3-(4-methylpiperidino)-3-oxopropanethioamide 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 Orbitrap
No. of Spectral Trees 1
No. of Spectra 116
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/13/2016 1:10:31 PM
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Identificators

InChI InChI=1S/C17H21N3O2S/c1-12-6-8-20(9-7-12)17(21)15(11-18)16(23)19-13-4-3-5-14(10-13)22-2/h3-5,10,12,15H,6-9H2,1-2H3,(H,19,23)
InChI Key ZTMVXCMUNMDJHR-UHFFFAOYSA-N
Canonical SMILES CC1CCN(CC1)C(=O)C(C#N)C(=S)NC2=CC(=CC=C2)OC
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Other Names 1-Piperidinepropanethioamide, α-cyano-N-(3-methoxyphenyl)-4-methyl-β-oxo-

In Other Databases

PubChem 2806432
ChemSpider 2084934