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

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

ID: Reference10376

Other Names: Benzoic acid, 4-[[(3S)-3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidinyl]methyl]-;
NAT31-460099

Formula: C22H24N4O3

Spectral Data

4-{[(3S)-3-{5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-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 1263
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/16/2021 9:59:12 AM
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Identificators

InChI InChI=1S/C22H24N4O3/c1-25(2)19-9-7-16(8-10-19)20-23-24-21(29-20)18-11-12-26(14-18)13-15-3-5-17(6-4-15)22(27)28/h3-10,18H,11-14H2,1-2H3,(H,27,28)/t18-/m0/s1
InChI Key DCSFYIQKUUKDBQ-SFHVURJKSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NN=C(O2)C3CCN(C3)CC4=CC=C(C=C4)C(=O)O
CAS
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Other Names Benzoic acid, 4-[[(3S)-3-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidinyl]methyl]-;
NAT31-460099

In Other Databases

PubChem 51137521
ChemSpider 29850514