2-[(4-Chlorophenyl)sulfonyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]acrylonitrile

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Systematic / IUPAC Name: (2E)-2-[(4-Chlorophenyl)sulfonyl]-3-[(4,6-dimethyl-2-pyrimidinyl)amino]acrylonitrile

ID: Reference3938

Other Names: 2-Propenenitrile, 2-[(4-chlorophenyl)sulfonyl]-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-, (2E)-

Formula: C15H13ClN4O2S

Spectral Data

2-[(4-Chlorophenyl)sulfonyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]acrylonitrile 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/24/2016 7:59:32 AM
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Identificators

InChI InChI=1S/C15H13ClN4O2S/c1-10-7-11(2)20-15(19-10)18-9-14(8-17)23(21,22)13-5-3-12(16)4-6-13/h3-7,9H,1-2H3,(H,18,19,20)/b14-9+
InChI Key AKBBNUDHZCMUNG-NTEUORMPSA-N
Canonical SMILES CC1=CC(=NC(=N1)NC=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl)C
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Other Names 2-Propenenitrile, 2-[(4-chlorophenyl)sulfonyl]-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-, (2E)-

In Other Databases

PubChem 2819200
ChemSpider 2097434