4-{[(2S,4R)-2-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxy-1-pyrrolidinyl]methyl}benzoic acid
11519
Reference
4-{[(2S,4R)-2-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxy-1-pyrrolidinyl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(2S,4R)-2-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]methyl]benzoic acid
ID: Reference11519
Other Names: NAT18-381942
Formula: C17H19N3O4
Spectral Data
4-{[(2S,4R)-2-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-4-hydroxy-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 | 953 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/28/2022 10:11:28 AM |
Identificators
| InChI | InChI=1S/C17H19N3O4/c21-13-7-14(16-18-15(19-24-16)11-5-6-11)20(9-13)8-10-1-3-12(4-2-10)17(22)23/h1-4,11,13-14,21H,5-9H2,(H,22,23)/t13-,14+/m1/s1 |
| InChI Key | XOQDMVOGQZIDTG-KGLIPLIRSA-N |
| Canonical SMILES | C1CC1C2=NOC(=N2)C3CC(CN3CC4=CC=C(C=C4)C(=O)O)O |
| CAS | |
| Splash | |
| Other Names | NAT18-381942 |