4-{[(2S)-2-{3-[6-(1H-Imidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid
10632
Reference
4-{[(2S)-2-{3-[6-(1H-Imidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(2S)-2-[3-(6-Imidazol-1-ylpyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
ID: Reference10632
Other Names: NAT18-442318
Formula: C22H20N6O3
Spectral Data
4-{[(2S)-2-{3-[6-(1H-Imidazol-1-yl)-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 | 2419 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/9/2021 10:09:35 AM |
Identificators
| InChI | InChI=1S/C22H20N6O3/c29-22(30)16-5-3-15(4-6-16)13-27-10-1-2-18(27)21-25-20(26-31-21)17-7-8-19(24-12-17)28-11-9-23-14-28/h3-9,11-12,14,18H,1-2,10,13H2,(H,29,30)/t18-/m0/s1 |
| InChI Key | PXIQUTUBRLJQNS-SFHVURJKSA-N |
| Canonical SMILES | C1CC(N(C1)CC2=CC=C(C=C2)C(=O)O)C3=NC(=NO3)C4=CN=C(C=C4)N5C=CN=C5 |
| CAS | |
| Splash | |
| Other Names | NAT18-442318 |