1-{(3S,5S)-1-Methyl-5-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinyl}-3-[3-(trifluoromethyl)phenyl]urea
12113
Reference
1-{(3S,5S)-1-Methyl-5-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinyl}-3-[3-(trifluoromethyl)phenyl]urea Structure
Systematic / IUPAC Name: 1-[(3S,5S)-1-Methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
ID: Reference12113
Other Names: NAT18-355058
Formula: C19H18F3N7O2
Spectral Data
1-{(3S,5S)-1-Methyl-5-[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinyl}-3-[3-(trifluoromethyl)phenyl]urea 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 | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1083 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/12/2023 9:20:25 AM |
Identificators
| InChI | InChI=1S/C19H18F3N7O2/c1-29-10-13(26-18(30)25-12-4-2-3-11(7-12)19(20,21)22)8-15(29)17-27-16(28-31-17)14-9-23-5-6-24-14/h2-7,9,13,15H,8,10H2,1H3,(H2,25,26,30)/t13-,15-/m0/s1 |
| InChI Key | JFROGSMHTQYIQA-ZFWWWQNUSA-N |
| Canonical SMILES | CN1CC(CC1C2=NC(=NO2)C3=NC=CN=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT18-355058 |