4-({(2S)-2-[3-(6-Methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl}methyl)benzoic acid
10847
Reference
4-({(2S)-2-[3-(6-Methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl}methyl)benzoic acid Structure
Systematic / IUPAC Name: 4-[[(2S)-2-[3-(6-Methoxypyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
ID: Reference10847
Other Names: NAT18-443173
Formula: C20H20N4O4
Spectral Data
4-({(2S)-2-[3-(6-Methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl}methyl)benzoic 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 | 2 |
| No. of Spectra | 2667 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/14/2021 7:09:13 AM |
Identificators
| InChI | InChI=1S/C20H20N4O4/c1-27-17-9-8-15(11-21-17)18-22-19(28-23-18)16-3-2-10-24(16)12-13-4-6-14(7-5-13)20(25)26/h4-9,11,16H,2-3,10,12H2,1H3,(H,25,26)/t16-/m0/s1 |
| InChI Key | APKKYIRZYPXOPM-INIZCTEOSA-N |
| Canonical SMILES | COC1=NC=C(C=C1)C2=NOC(=N2)C3CCCN3CC4=CC=C(C=C4)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT18-443173 |