Systematic / IUPAC Name: N-[[(2R,4S,5R)-5-[6-(3,4-Dimethoxyphenyl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclobutanecarboxamide
ID: Reference9255
Other Names:
Cyclobutanecarboxamide, N-[[(2R,4S,5R)-5-[6-(3,4-dimethoxyphenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-341497
Formula: C26H34N4O3
N-({(2R,4S,5R)-5-[6-(3,4-Dimethoxyphenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)cyclobutanecarboxamide 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 | 717 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 12/20/2019 10:02:21 AM |
InChI | InChI=1S/C26H34N4O3/c1-16-28-22(19-7-8-24(32-2)25(12-19)33-3)13-23(29-16)21-15-30-10-9-18(21)11-20(30)14-27-26(31)17-5-4-6-17/h7-8,12-13,17-18,20-21H,4-6,9-11,14-15H2,1-3H3,(H,27,31)/t18-,20+,21-/m0/s1 |
InChI Key | JRCMORDRHIUCMZ-TYPHKJRUSA-N |
Canonical SMILES | CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)C4CCC4)C5=CC(=C(C=C5)OC)OC |
CAS | |
Splash | |
Other Names |
Cyclobutanecarboxamide, N-[[(2R,4S,5R)-5-[6-(3,4-dimethoxyphenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-; NAT13-341497 |