3-{[(3S)-3-(5-Methyl-1,3-benzoxazol-2-yl)-1-pyrrolidinyl]methyl}quinoline

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

ID: Reference9591

Other Names: Quinoline, 3-[[(3S)-3-(5-methyl-2-benzoxazolyl)-1-pyrrolidinyl]methyl]-;
NAT31-456723

Formula: C22H21N3O

Spectral Data

3-{[(3S)-3-(5-Methyl-1,3-benzoxazol-2-yl)-1-pyrrolidinyl]methyl}quinoline 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 545
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/15/2020 8:39:30 AM
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Identificators

InChI InChI=1S/C22H21N3O/c1-15-6-7-21-20(10-15)24-22(26-21)18-8-9-25(14-18)13-16-11-17-4-2-3-5-19(17)23-12-16/h2-7,10-12,18H,8-9,13-14H2,1H3/t18-/m0/s1
InChI Key YQWSEHBOTRWGLU-SFHVURJKSA-N
Canonical SMILES CC1=CC2=C(C=C1)OC(=N2)C3CCN(C3)CC4=CC5=CC=CC=C5N=C4
CAS
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Other Names Quinoline, 3-[[(3S)-3-(5-methyl-2-benzoxazolyl)-1-pyrrolidinyl]methyl]-;
NAT31-456723

In Other Databases

PubChem 51137049
ChemSpider 29849921