2-[4-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-1-piperazinyl]pyrimidine
12986
Reference
2-[4-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-1-piperazinyl]pyrimidine Structure
Systematic / IUPAC Name: 2-[[(1S,4S,5S)-2-Methyl-5-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-5-propyl-1,3,4-oxadiazole
ID: Reference12986
Other Names: NAT28-413071
Formula: C25H38N6O
Spectral Data
2-[4-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-1-piperazinyl]pyrimidine 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 | 820 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/26/2024 10:33:22 AM |
Identificators
| InChI | InChI=1S/C25H38N6O/c1-5-7-23-28-29-24(32-23)16-20-15-22(18(2)3)21(14-19(20)4)17-30-10-12-31(13-11-30)25-26-8-6-9-27-25/h6,8-9,14,18,20-22H,5,7,10-13,15-17H2,1-4H3/t20-,21-,22-/m0/s1 |
| InChI Key | NWKLHQWDOMXUHM-FKBYEOEOSA-N |
| Canonical SMILES | CCCC1=NN=C(O1)CC2CC(C(C=C2C)CN3CCN(CC3)C4=NC=CC=N4)C(C)C |
| CAS | |
| Splash | |
| Other Names | NAT28-413071 |