Systematic / IUPAC Name: 1-(4-Methoxyphenyl)-3-[[(2R,4S,5R)-5-(2-methyl-5-phenylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
ID: Reference9057
Other Names:
Urea, N-(4-methoxyphenyl)-N'-[[(2R,4S,5R)-5-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-332247
Formula: C26H31N5O2
1-(4-Methoxyphenyl)-3-{[(2R,4S,5R)-5-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}urea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 2 |
No. of Spectra | 3294 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 11/4/2019 11:07:15 AM |
InChI | InChI=1S/C26H31N5O2/c1-30-25(15-24(29-30)18-6-4-3-5-7-18)23-17-31-13-12-19(23)14-21(31)16-27-26(32)28-20-8-10-22(33-2)11-9-20/h3-11,15,19,21,23H,12-14,16-17H2,1-2H3,(H2,27,28,32)/t19-,21+,23-/m0/s1 |
InChI Key | JEAXPXKRWFVKBI-WPYKKVEZSA-N |
Canonical SMILES | CN1C(=CC(=N1)C2=CC=CC=C2)C3CN4CCC3CC4CNC(=O)NC5=CC=C(C=C5)OC |
CAS | |
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Other Names |
Urea, N-(4-methoxyphenyl)-N'-[[(2R,4S,5R)-5-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-; NAT13-332247 |