4-{[(2S)-2-{3-[2-(1-Pyrrolidinyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid
12878
Reference
4-{[(2S)-2-{3-[2-(1-Pyrrolidinyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(2S)-2-[3-(2-Pyrrolidin-1-ylpyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
ID: Reference12878
Other Names: NAT18-473603
Formula: C23H25N5O3
Spectral Data
4-{[(2S)-2-{3-[2-(1-Pyrrolidinyl)-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 | 1 |
| No. of Spectra | 1129 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/14/2023 9:35:46 AM |
Identificators
| InChI | InChI=1S/C23H25N5O3/c29-23(30)17-7-5-16(6-8-17)15-28-13-3-4-19(28)22-25-21(26-31-22)18-9-10-24-20(14-18)27-11-1-2-12-27/h5-10,14,19H,1-4,11-13,15H2,(H,29,30)/t19-/m0/s1 |
| InChI Key | FXFYVSNGRSOLIG-IBGZPJMESA-N |
| Canonical SMILES | C1CCN(C1)C2=NC=CC(=C2)C3=NOC(=N3)C4CCCN4CC5=CC=C(C=C5)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT18-473603 |