1-{[(2R,4S,5R)-5-{[(2R)-2-(Methoxymethyl)-1-pyrrolidinyl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-phenylurea

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Systematic / IUPAC Name: 1-[[(2R,4S,5R)-5-[[(2R)-2-(Methoxymethyl)pyrrolidin-1-yl]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-phenylurea

ID: Reference9030

Other Names: Urea, N-[[(2R,4S,5R)-5-[[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-phenyl-;
NAT13-339851

Formula: C22H34N4O2

Spectral Data

1-{[(2R,4S,5R)-5-{[(2R)-2-(Methoxymethyl)-1-pyrrolidinyl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-phenylurea 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 1455
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2019 7:31:13 AM
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Identificators

InChI InChI=1S/C22H34N4O2/c1-28-16-20-8-5-10-25(20)14-18-15-26-11-9-17(18)12-21(26)13-23-22(27)24-19-6-3-2-4-7-19/h2-4,6-7,17-18,20-21H,5,8-16H2,1H3,(H2,23,24,27)/t17-,18-,20+,21+/m0/s1
InChI Key KRAGWAXBWDXNLG-FMWKFLBASA-N
Canonical SMILES COCC1CCCN1CC2CN3CCC2CC3CNC(=O)NC4=CC=CC=C4
CAS
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Other Names Urea, N-[[(2R,4S,5R)-5-[[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-phenyl-;
NAT13-339851

In Other Databases

PubChem 40780260
ChemSpider 21381740