5-(Ethylsulfonyl)-2-[(3S)-1-(4-pyridinylmethyl)-3-pyrrolidinyl]-1,3-benzoxazole

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Systematic / IUPAC Name: 5-Ethylsulfonyl-2-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3-benzoxazole

ID: Reference10366

Other Names: Benzoxazole, 5-(ethylsulfonyl)-2-[(3S)-1-(4-pyridinylmethyl)-3-pyrrolidinyl]-;
NAT31-458110

Formula: C19H21N3O3S

Spectral Data

5-(Ethylsulfonyl)-2-[(3S)-1-(4-pyridinylmethyl)-3-pyrrolidinyl]-1,3-benzoxazole 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 650
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/9/2021 1:55:27 PM
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Identificators

InChI InChI=1S/C19H21N3O3S/c1-2-26(23,24)16-3-4-18-17(11-16)21-19(25-18)15-7-10-22(13-15)12-14-5-8-20-9-6-14/h3-6,8-9,11,15H,2,7,10,12-13H2,1H3/t15-/m0/s1
InChI Key ADADDBWLTNYALE-HNNXBMFYSA-N
Canonical SMILES CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3CCN(C3)CC4=CC=NC=C4
CAS
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Other Names Benzoxazole, 5-(ethylsulfonyl)-2-[(3S)-1-(4-pyridinylmethyl)-3-pyrrolidinyl]-;
NAT31-458110

In Other Databases

PubChem 51137141
ChEMBL CHEMBL3436871
ChemSpider 29850162