6-[4-(Methylsulfonyl)piperazino]nicotinonitrile

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Systematic / IUPAC Name: 6-[4-(4-Chlorobenzoyl)-1-piperazinyl]nicotinonitrile

ID: Reference6866

Other Names: 3-Pyridinecarbonitrile, 6-[4-(4-chlorobenzoyl)-1-piperazinyl]-

Formula: C17H15ClN4O

Spectral Data

6-[4-(Methylsulfonyl)piperazino]nicotinonitrile 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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/26/2017 8:17:01 AM
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Identificators

InChI InChI=1S/C17H15ClN4O/c18-15-4-2-14(3-5-15)17(23)22-9-7-21(8-10-22)16-6-1-13(11-19)12-20-16/h1-6,12H,7-10H2
InChI Key KQIJQVIYNZPUBJ-UHFFFAOYSA-N
Canonical SMILES C1CN(CCN1C2=NC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)Cl
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Other Names 3-Pyridinecarbonitrile, 6-[4-(4-chlorobenzoyl)-1-piperazinyl]-

In Other Databases

PubChem 2746533
ChemSpider 2028004