1-Benzyl-3-{(3S,5S)-1-methyl-5-[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinyl}urea

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Systematic / IUPAC Name: 1-Benzyl-3-[(3S,5S)-1-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea

ID: Reference9889

Other Names: Urea, N-[(3S,5S)-1-methyl-5-[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinyl]-N'-(phenylmethyl)-;
NAT18-355753

Formula: C20H22N6O2

Spectral Data

1-Benzyl-3-{(3S,5S)-1-methyl-5-[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinyl}urea 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 1980
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/21/2020 6:32:26 AM
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Identificators

InChI InChI=1S/C20H22N6O2/c1-26-13-16(23-20(27)22-12-14-5-3-2-4-6-14)11-17(26)19-24-18(25-28-19)15-7-9-21-10-8-15/h2-10,16-17H,11-13H2,1H3,(H2,22,23,27)/t16-,17-/m0/s1
InChI Key QKCQVNOJOHBRGO-IRXDYDNUSA-N
Canonical SMILES CN1CC(CC1C2=NC(=NO2)C3=CC=NC=C3)NC(=O)NCC4=CC=CC=C4
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Other Names Urea, N-[(3S,5S)-1-methyl-5-[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinyl]-N'-(phenylmethyl)-;
NAT18-355753

In Other Databases

PubChem 25338452
ChemSpider 21386664