N1-(4-Pyridylmethyl)-2-[(2-phenoxyethyl)thio]acetamide
6762
Reference
N1-(4-Pyridylmethyl)-2-[(2-phenoxyethyl)thio]acetamide Structure
Systematic / IUPAC Name: 2-[(2-Phenoxyethyl)sulfanyl]-N-(4-pyridinylmethyl)acetamide
ID: Reference6762
Other Names: Acetamide, 2-[(2-phenoxyethyl)thio]-N-(4-pyridinylmethyl)-
Formula: C16H18N2O2S
Spectral Data
N1-(4-Pyridylmethyl)-2-[(2-phenoxyethyl)thio]acetamide 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 | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 8/28/2017 9:47:51 AM |
Identificators
| InChI | InChI=1S/C16H18N2O2S/c19-16(18-12-14-6-8-17-9-7-14)13-21-11-10-20-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,18,19) |
| InChI Key | KNACKWVAAPQNQS-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)OCCSCC(=O)NCC2=CC=NC=C2 |
| CAS | |
| Splash | |
| Other Names | Acetamide, 2-[(2-phenoxyethyl)thio]-N-(4-pyridinylmethyl)- |
In Other Databases
| PubChem | 2821557 |
| ChEMBL | CHEMBL1364527 |
| ChemSpider | 2099782 |