(3R,5S)-1-(1H-Indol-3-ylmethyl)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-3-pyrrolidinol
12469
Reference
(3R,5S)-1-(1H-Indol-3-ylmethyl)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-3-pyrrolidinol Structure
Systematic / IUPAC Name: (3R,5S)-1-(1H-Indol-3-ylmethyl)-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
ID: Reference12469
Other Names: NAT18-348533
Formula: C22H19F3N4O2
Spectral Data
(3R,5S)-1-(1H-Indol-3-ylmethyl)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}-3-pyrrolidinol 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 | 430 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/4/2023 8:23:21 AM |
Identificators
| InChI | InChI=1S/C22H19F3N4O2/c23-22(24,25)15-7-5-13(6-8-15)20-27-21(31-28-20)19-9-16(30)12-29(19)11-14-10-26-18-4-2-1-3-17(14)18/h1-8,10,16,19,26,30H,9,11-12H2/t16-,19+/m1/s1 |
| InChI Key | XITAXHUCDKLJPY-APWZRJJASA-N |
| Canonical SMILES | C1C(CN(C1C2=NC(=NO2)C3=CC=C(C=C3)C(F)(F)F)CC4=CNC5=CC=CC=C54)O |
| CAS | |
| Splash | |
| Other Names | NAT18-348533 |