N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[2-(4-morpholinyl)-2-oxoethyl]-2-cyclohexen-1-yl}methyl)-5-pyrimidinecarboxamide
11901
Reference
N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[2-(4-morpholinyl)-2-oxoethyl]-2-cyclohexen-1-yl}methyl)-5-pyrimidinecarboxamide Structure
Systematic / IUPAC Name: N-[[(1S,4S,6S)-3-Methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyrimidine-5-carboxamide
ID: Reference11901
Other Names: NAT28-405306
Formula: C22H32N4O3
Spectral Data
N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[2-(4-morpholinyl)-2-oxoethyl]-2-cyclohexen-1-yl}methyl)-5-pyrimidinecarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2824 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/2/2022 8:56:29 AM |
Identificators
| InChI | InChI=1S/C22H32N4O3/c1-15(2)20-9-17(10-21(27)26-4-6-29-7-5-26)16(3)8-18(20)13-25-22(28)19-11-23-14-24-12-19/h8,11-12,14-15,17-18,20H,4-7,9-10,13H2,1-3H3,(H,25,28)/t17-,18-,20-/m0/s1 |
| InChI Key | AFINJYGILZNHKI-BJLQDIEVSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)N2CCOCC2)C(C)C)CNC(=O)C3=CN=CN=C3 |
| CAS | |
| Splash | |
| Other Names | NAT28-405306 |