Systematic / IUPAC Name: 1-[[(2R,4S,5R)-5-[6-(Furan-2-yl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-phenylurea
ID: Reference9942
Other Names:
Urea, N-[[(2R,4S,5R)-5-[6-(2-furanyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-phenyl-;
NAT13-342974
Formula: C24H27N5O2
1-({(2R,4S,5R)-5-[6-(2-Furyl)-2-methyl-4-pyrimidinyl]-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.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 1515 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 9/17/2020 10:17:17 AM |
InChI | InChI=1S/C24H27N5O2/c1-16-26-21(13-22(27-16)23-8-5-11-31-23)20-15-29-10-9-17(20)12-19(29)14-25-24(30)28-18-6-3-2-4-7-18/h2-8,11,13,17,19-20H,9-10,12,14-15H2,1H3,(H2,25,28,30)/t17-,19+,20-/m0/s1 |
InChI Key | JPGAELSUCRFDHO-SXLOBPIMSA-N |
Canonical SMILES | CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)NC4=CC=CC=C4)C5=CC=CO5 |
CAS | |
Splash | |
Other Names |
Urea, N-[[(2R,4S,5R)-5-[6-(2-furanyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-phenyl-; NAT13-342974 |