4-{[(2S)-2-(3-{2-[(2-Methoxyethyl)amino]-3-pyridinyl}-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methyl}benzoic acid
10609
Reference
4-{[(2S)-2-(3-{2-[(2-Methoxyethyl)amino]-3-pyridinyl}-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(2S)-2-[3-[2-(2-Methoxyethylamino)pyridin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
ID: Reference10609
Other Names: NAT18-429835
Formula: C22H25N5O4
Spectral Data
4-{[(2S)-2-(3-{2-[(2-Methoxyethyl)amino]-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 | 2439 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/29/2021 5:18:37 PM |
Identificators
| InChI | InChI=1S/C22H25N5O4/c1-30-13-11-24-19-17(4-2-10-23-19)20-25-21(31-26-20)18-5-3-12-27(18)14-15-6-8-16(9-7-15)22(28)29/h2,4,6-10,18H,3,5,11-14H2,1H3,(H,23,24)(H,28,29)/t18-/m0/s1 |
| InChI Key | QECAVBRUTQORCY-SFHVURJKSA-N |
| Canonical SMILES | COCCNC1=C(C=CC=N1)C2=NOC(=N2)C3CCCN3CC4=CC=C(C=C4)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT18-429835 |