1-Cyclohexyl-3-{(1S,2S,3S,4R,5R)-3-hydroxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]-6,8-dioxabicyclo[3.2.1]oct-2-yl}urea
12635
Reference
1-Cyclohexyl-3-{(1S,2S,3S,4R,5R)-3-hydroxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]-6,8-dioxabicyclo[3.2.1]oct-2-yl}urea Structure
Systematic / IUPAC Name: 1-Cyclohexyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea
ID: Reference12635
Other Names: NAT17-347135
Formula: C24H36N4O5
Spectral Data
1-Cyclohexyl-3-{(1S,2S,3S,4R,5R)-3-hydroxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]-6,8-dioxabicyclo[3.2.1]oct-2-yl}urea 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 | 900 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/7/2023 8:08:55 AM |
Identificators
| InChI | InChI=1S/C24H36N4O5/c1-31-18-10-6-5-9-17(18)27-11-13-28(14-12-27)21-22(29)20(19-15-32-23(21)33-19)26-24(30)25-16-7-3-2-4-8-16/h5-6,9-10,16,19-23,29H,2-4,7-8,11-15H2,1H3,(H2,25,26,30)/t19-,20-,21-,22+,23-/m1/s1 |
| InChI Key | GGJJTJLHMNDQKL-FWKCKQQBSA-N |
| Canonical SMILES | COC1=CC=CC=C1N2CCN(CC2)C3C(C(C4COC3O4)NC(=O)NC5CCCCC5)O |
| CAS | |
| Splash | |
| Other Names | NAT17-347135 |