N3-{2-[(4-Methylphenyl)thio]ethyl}-2-phenoxynicotinamide
5562
Reference
N3-{2-[(4-Methylphenyl)thio]ethyl}-2-phenoxynicotinamide Structure
Systematic / IUPAC Name: N-{2-[(4-Methylphenyl)sulfanyl]ethyl}-2-phenoxynicotinamide
ID: Reference5562
Other Names: 3-Pyridinecarboxamide, N-{2-[(4-methylphenyl)thio]ethyl}-2-phenoxy-
Formula: C21H20N2O2S
Spectral Data
N3-{2-[(4-Methylphenyl)thio]ethyl}-2-phenoxynicotinamide 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 | 199 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 9/12/2016 10:03:05 AM |
Identificators
| InChI | InChI=1S/C21H20N2O2S/c1-16-9-11-18(12-10-16)26-15-14-22-20(24)19-8-5-13-23-21(19)25-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,22,24) |
| InChI Key | AYRBQTFXGVAGDB-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)SCCNC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3 |
| CAS | |
| Splash | |
| Other Names | 3-Pyridinecarboxamide, N-{2-[(4-methylphenyl)thio]ethyl}-2-phenoxy- |