4-({(2S,4R)-4-Hydroxy-2-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl}methyl)benzoic acid

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Systematic / IUPAC Name: 4-[[(2S,4R)-4-Hydroxy-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]benzoic acid

ID: Reference9458

Other Names: Benzoic acid, 4-[[(2S,4R)-4-hydroxy-2-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]methyl]-;
NAT18-381924

Formula: C19H18N4O4

Spectral Data

4-({(2S,4R)-4-Hydroxy-2-[3-(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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1680
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/11/2020 9:36:58 AM
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Identificators

InChI InChI=1S/C19H18N4O4/c24-15-8-16(18-21-17(22-27-18)14-2-1-7-20-9-14)23(11-15)10-12-3-5-13(6-4-12)19(25)26/h1-7,9,15-16,24H,8,10-11H2,(H,25,26)/t15-,16+/m1/s1
InChI Key XCKNTMMPSXBILX-CVEARBPZSA-N
Canonical SMILES C1C(CN(C1C2=NC(=NO2)C3=CN=CC=C3)CC4=CC=C(C=C4)C(=O)O)O
CAS
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Other Names Benzoic acid, 4-[[(2S,4R)-4-hydroxy-2-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]methyl]-;
NAT18-381924

In Other Databases

ChemSpider 21386802
PubChem 26744523