2-{2-[4-(3-Cyano-2-pyridinyl)piperazino]-2-oxoethoxy}acetic acid

Systematic / IUPAC Name: {2-[4-(3-Cyano-2-pyridinyl)-1-piperazinyl]-2-oxoethoxy}acetic acid

ID: Reference3693

Other Names: Acetic acid, 2-{2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-2-oxoethoxy}-

Formula: C14H16N4O4

Spectral Data

2-{2-[4-(3-Cyano-2-pyridinyl)piperazino]-2-oxoethoxy}acetic acid 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 2
No. of Spectra 226
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/3/2016 2:26:17 PM
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Identificators

InChI InChI=1S/C14H16N4O4/c15-8-11-2-1-3-16-14(11)18-6-4-17(5-7-18)12(19)9-22-10-13(20)21/h1-3H,4-7,9-10H2,(H,20,21)
InChI Key ROSGYMRRRLJBGP-UHFFFAOYSA-N
Canonical SMILES C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)COCC(=O)O
CAS
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Other Names Acetic acid, 2-{2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-2-oxoethoxy}-

In Other Databases

PubChem 2812091
ChEMBL CHEMBL1427675
ChemSpider 2090497