4-{[(2S)-2-{3-[2-(4-Morpholinyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid
10825
Reference
4-{[(2S)-2-{3-[2-(4-Morpholinyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(2S)-2-[3-(2-Morpholin-4-ylpyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
ID: Reference10825
Other Names: NAT18-428752
Formula: C23H25N5O4
Spectral Data
4-{[(2S)-2-{3-[2-(4-Morpholinyl)-4-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 | 2691 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/9/2021 6:28:00 AM |
Identificators
| InChI | InChI=1S/C23H25N5O4/c29-23(30)17-5-3-16(4-6-17)15-28-9-1-2-19(28)22-25-21(26-32-22)18-7-8-24-20(14-18)27-10-12-31-13-11-27/h3-8,14,19H,1-2,9-13,15H2,(H,29,30)/t19-/m0/s1 |
| InChI Key | FTWZGBSQBVVQDX-IBGZPJMESA-N |
| Canonical SMILES | C1CC(N(C1)CC2=CC=C(C=C2)C(=O)O)C3=NC(=NO3)C4=CC(=NC=C4)N5CCOCC5 |
| CAS | |
| Splash | |
| Other Names | NAT18-428752 |