2-{2-[4-(3-Cyano-2-pyridinyl)piperazino]-2-oxoethoxy}acetic acid
3693
Reference
2-{2-[4-(3-Cyano-2-pyridinyl)piperazino]-2-oxoethoxy}acetic acid Structure
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.
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 |
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 | |
| Splash | |
| Other Names | Acetic acid, 2-{2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-2-oxoethoxy}- |
In Other Databases
| PubChem | 2812091 |
| ChEMBL | CHEMBL1427675 |
| ChemSpider | 2090497 |