[2-({(3S,5S)-5-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-3-pyrrolidinyl}amino)-2-oxoethoxy]acetic acid
12203
Reference
[2-({(3S,5S)-5-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-3-pyrrolidinyl}amino)-2-oxoethoxy]acetic acid Structure
Systematic / IUPAC Name: 2-[2-[[(3S,5S)-5-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetic acid
ID: Reference12203
Other Names: NAT18-356854
Formula: C17H19FN4O5
Spectral Data
[2-({(3S,5S)-5-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-3-pyrrolidinyl}amino)-2-oxoethoxy]acetic acid 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 | 710 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/1/2023 4:30:58 PM |
Identificators
| InChI | InChI=1S/C17H19FN4O5/c1-22-7-12(19-14(23)8-26-9-15(24)25)6-13(22)17-20-16(21-27-17)10-2-4-11(18)5-3-10/h2-5,12-13H,6-9H2,1H3,(H,19,23)(H,24,25)/t12-,13-/m0/s1 |
| InChI Key | VTZXSBHZFWOIIH-STQMWFEESA-N |
| Canonical SMILES | CN1CC(CC1C2=NC(=NO2)C3=CC=C(C=C3)F)NC(=O)COCC(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT18-356854 |