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
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.
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 |
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 |
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Other Names | Acetic acid, 2-{2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-2-oxoethoxy}- |
PubChem | 2812091 |
ChEMBL | CHEMBL1427675 |
ChemSpider | 2090497 |