3-[4-(Acetylamino)phenyl]-2-cyanoacrylamide
5229
Reference
3-[4-(Acetylamino)phenyl]-2-cyanoacrylamide Structure
Systematic / IUPAC Name: (2E)-3-(4-Acetamidophenyl)-2-cyanoacrylamide
ID: Reference5229
Other Names: 2-Propenamide, 3-[4-(acetylamino)phenyl]-2-cyano-, (2E)-
Formula: C12H11N3O2
Spectral Data
3-[4-(Acetylamino)phenyl]-2-cyanoacrylamide 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 | 238 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 7/22/2016 7:50:36 AM |
Identificators
| InChI | InChI=1S/C12H11N3O2/c1-8(16)15-11-4-2-9(3-5-11)6-10(7-13)12(14)17/h2-6H,1H3,(H2,14,17)(H,15,16)/b10-6+ |
| InChI Key | KZYALRXGZUUWDD-UXBLZVDNSA-N |
| Canonical SMILES | CC(=O)NC1=CC=C(C=C1)C=C(C#N)C(=O)N |
| CAS | |
| Splash | |
| Other Names | 2-Propenamide, 3-[4-(acetylamino)phenyl]-2-cyano-, (2E)- |
In Other Databases
| PubChem | 5716880 |
| ChemSpider | 4653735 |
| ChEMBL | CHEMBL1332585 |