1-({(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-3-(4-methoxyphenyl)urea

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Systematic / IUPAC Name: 1-[[(2R,4S,5R)-5-[5-(3,4-Dimethoxyphenyl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-(4-methoxyphenyl)urea

ID: Reference9041

Other Names: Urea, N-[[(2R,4S,5R)-5-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-(4-methoxyphenyl)-;
NAT13-338617

Formula: C28H35N5O4

Spectral Data

1-({(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-3-(4-methoxyphenyl)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 FAIMS
No. of Spectral Trees 1
No. of Spectra 1769
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 10/25/2019 11:40:45 AM
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Identificators

InChI InChI=1S/C28H35N5O4/c1-32-25(15-24(31-32)19-5-10-26(36-3)27(14-19)37-4)23-17-33-12-11-18(23)13-21(33)16-29-28(34)30-20-6-8-22(35-2)9-7-20/h5-10,14-15,18,21,23H,11-13,16-17H2,1-4H3,(H2,29,30,34)/t18-,21+,23-/m0/s1
InChI Key IRBVKYZHXKQVBS-ZEYPLWLESA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC(=C(C=C2)OC)OC)C3CN4CCC3CC4CNC(=O)NC5=CC=C(C=C5)OC
CAS
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Other Names Urea, N-[[(2R,4S,5R)-5-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-(4-methoxyphenyl)-;
NAT13-338617

In Other Databases

ChemSpider 21381224
PubChem 40780146