4-{[(2S)-2-(3-{6-[(2-Methoxyethyl)amino]-3-pyridinyl}-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methyl}benzoic acid
12248
Reference
4-{[(2S)-2-(3-{6-[(2-Methoxyethyl)amino]-3-pyridinyl}-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(2S)-2-[3-[6-(2-Methoxyethylamino)pyridin-3-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
ID: Reference12248
Other Names: NAT18-432229
Formula: C22H25N5O4
Spectral Data
4-{[(2S)-2-(3-{6-[(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 | 1 |
| No. of Spectra | 1457 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/14/2023 9:18:47 AM |
Identificators
| InChI | InChI=1S/C22H25N5O4/c1-30-12-10-23-19-9-8-17(13-24-19)20-25-21(31-26-20)18-3-2-11-27(18)14-15-4-6-16(7-5-15)22(28)29/h4-9,13,18H,2-3,10-12,14H2,1H3,(H,23,24)(H,28,29)/t18-/m0/s1 |
| InChI Key | SPBBOGJWOMUPCM-SFHVURJKSA-N |
| Canonical SMILES | COCCNC1=NC=C(C=C1)C2=NOC(=N2)C3CCCN3CC4=CC=C(C=C4)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT18-432229 |