4-{[(2S)-2-{3-[6-(5-Pyrimidinyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid

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Systematic / IUPAC Name: 4-[[(2S)-2-[3-(6-Pyrimidin-5-ylpyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid

ID: Reference10045

Other Names: Benzoic acid, 4-[[(2S)-2-[3-[6-(5-pyrimidinyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]methyl]-;
NAT18-440323

Formula: C23H20N6O3

Spectral Data

4-{[(2S)-2-{3-[6-(5-Pyrimidinyl)-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 2
No. of Spectra 1394
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/6/2020 2:09:19 PM
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Identificators

InChI InChI=1S/C23H20N6O3/c30-23(31)16-5-3-15(4-6-16)13-29-9-1-2-20(29)22-27-21(28-32-22)17-7-8-19(26-12-17)18-10-24-14-25-11-18/h3-8,10-12,14,20H,1-2,9,13H2,(H,30,31)/t20-/m0/s1
InChI Key CNJAUVGJRJFNFK-FQEVSTJZSA-N
Canonical SMILES C1CC(N(C1)CC2=CC=C(C=C2)C(=O)O)C3=NC(=NO3)C4=CN=C(C=C4)C5=CN=CN=C5
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Other Names Benzoic acid, 4-[[(2S)-2-[3-[6-(5-pyrimidinyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]methyl]-;
NAT18-440323

In Other Databases

PubChem 51136906
ChemSpider 29858103