1-Cyclohexyl-3-[(1S,2S,3S,4R,5R)-4-{[2-(dimethylamino)ethyl](methyl)amino}-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea
11029
Reference
1-Cyclohexyl-3-[(1S,2S,3S,4R,5R)-4-{[2-(dimethylamino)ethyl](methyl)amino}-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea Structure
Systematic / IUPAC Name: 1-Cyclohexyl-3-[(1S,2S,3S,4R,5R)-4-[2-(dimethylamino)ethyl-methylamino]-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea
ID: Reference11029
Other Names: NAT17-347383
Formula: C18H34N4O4
Spectral Data
1-Cyclohexyl-3-[(1S,2S,3S,4R,5R)-4-{[2-(dimethylamino)ethyl](methyl)amino}-3-hydroxy-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 | 1345 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/12/2021 7:15:27 AM |
Identificators
| InChI | InChI=1S/C18H34N4O4/c1-21(2)9-10-22(3)15-16(23)14(13-11-25-17(15)26-13)20-18(24)19-12-7-5-4-6-8-12/h12-17,23H,4-11H2,1-3H3,(H2,19,20,24)/t13-,14-,15-,16+,17-/m1/s1 |
| InChI Key | CRSGAADOUSXALX-OVYGPGRDSA-N |
| Canonical SMILES | CN(C)CCN(C)C1C(C(C2COC1O2)NC(=O)NC3CCCCC3)O |
| CAS | |
| Splash | |
| Other Names | NAT17-347383 |