2-Fluoro-6-{[3-(1H-imidazol-1-yl)propyl]amino}benzonitrile
5947
Reference
2-Fluoro-6-{[3-(1H-imidazol-1-yl)propyl]amino}benzonitrile Structure
Systematic / IUPAC Name: 2-Fluoro-6-(3-imidazol-1-ylpropylamino)benzonitrile
ID: Reference5947
Other Names: Benzonitrile, 2-fluoro-6-{[3-(1H-imidazol-1-yl)propyl]amino}-
Formula: C13H13FN4
Spectral Data
2-Fluoro-6-{[3-(1H-imidazol-1-yl)propyl]amino}benzonitrile 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 | 11/10/2016 7:55:16 AM |
Identificators
| InChI | InChI=1S/C13H13FN4/c14-12-3-1-4-13(11(12)9-15)17-5-2-7-18-8-6-16-10-18/h1,3-4,6,8,10,17H,2,5,7H2 |
| InChI Key | ZJMLDNRAZWLIIK-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=C(C(=C1)F)C#N)NCCCN2C=CN=C2 |
| CAS | |
| Splash | |
| Other Names | Benzonitrile, 2-fluoro-6-{[3-(1H-imidazol-1-yl)propyl]amino}- |
In Other Databases
| ChemSpider | 2083349 |
| ChEMBL | CHEMBL1886360 |
| PubChem | 2804809 |