2-(1-{2-Oxo-2-[(2-pyridinylmethyl)amino]ethyl}cyclohexyl)acetic acid
6407
Reference
2-(1-{2-Oxo-2-[(2-pyridinylmethyl)amino]ethyl}cyclohexyl)acetic acid Structure
Systematic / IUPAC Name: (1-{2-Oxo-2-[(2-pyridinylmethyl)amino]ethyl}cyclohexyl)acetic acid
ID: Reference6407
Other Names: Cyclohexaneacetic acid, 1-{2-oxo-2-[(2-pyridinylmethyl)amino]ethyl}-
Formula: C16H22N2O3
Spectral Data
2-(1-{2-Oxo-2-[(2-pyridinylmethyl)amino]ethyl}cyclohexyl)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 | 1 |
| No. of Spectra | 117 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/1/2017 8:28:33 AM |
Identificators
| InChI | InChI=1S/C16H22N2O3/c19-14(18-12-13-6-2-5-9-17-13)10-16(11-15(20)21)7-3-1-4-8-16/h2,5-6,9H,1,3-4,7-8,10-12H2,(H,18,19)(H,20,21) |
| InChI Key | FGOKWEDBZPMSRS-UHFFFAOYSA-N |
| Canonical SMILES | C1CCC(CC1)(CC(=O)NCC2=CC=CC=N2)CC(=O)O |
| CAS | |
| Splash | |
| Other Names | Cyclohexaneacetic acid, 1-{2-oxo-2-[(2-pyridinylmethyl)amino]ethyl}- |
In Other Databases
| PubChem | 2738302 |
| ChemSpider | 2019927; 21202842 |
| ChEMBL | CHEMBL1489155 |