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

enlarge

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

ID: Reference10851

Other Names: Benzoic acid, 4-[[(2S)-2-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]methyl]-;
NAT18-473546

Formula: C21H23N5O3

Spectral Data

4-{[(2S)-2-{3-[6-(Dimethylamino)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1038
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/14/2021 7:20:04 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H23N5O3/c1-25(2)18-10-9-16(12-22-18)19-23-20(29-24-19)17-4-3-11-26(17)13-14-5-7-15(8-6-14)21(27)28/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,27,28)/t17-/m0/s1
InChI Key NTDSVXLQZYKPNB-KRWDZBQOSA-N
Canonical SMILES CN(C)C1=NC=C(C=C1)C2=NOC(=N2)C3CCCN3CC4=CC=C(C=C4)C(=O)O
CAS
Splash
Other Names Benzoic acid, 4-[[(2S)-2-[3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]methyl]-;
NAT18-473546

In Other Databases

ChemSpider 29858264
PubChem 45783797