2-{[(2-{[5-(Trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]carbonyl}benzoicacid
8432
Reference
2-{[(2-{[5-(Trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]carbonyl}benzoicacid Structure
Systematic / IUPAC Name: 2-[2-[[5-(Trifluoromethyl)pyridin-2-yl]amino]ethylcarbamoyl]benzoic acid
ID: Reference8432
Other Names: Benzoic acid, 2-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]carbonyl]-
Formula: C16H14F3N3O3
Spectral Data
2-{[(2-{[5-(Trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]carbonyl}benzoicacid 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 | 220 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/11/2018 8:37:35 AM |
Identificators
| InChI | InChI=1S/C16H14F3N3O3/c17-16(18,19)10-5-6-13(22-9-10)20-7-8-21-14(23)11-3-1-2-4-12(11)15(24)25/h1-6,9H,7-8H2,(H,20,22)(H,21,23)(H,24,25) |
| InChI Key | JJADPGJGJWGZCW-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C(=C1)C(=O)NCCNC2=NC=C(C=C2)C(F)(F)F)C(=O)O |
| CAS | |
| Splash | |
| Other Names | Benzoic acid, 2-[[[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]carbonyl]- |
In Other Databases
| ChEMBL | CHEMBL209066 |
| ChemSpider | 2074943 |
| PubChem | 2796067 |