1-Ethyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-methyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea
9485
Reference
1-Ethyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-methyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea Structure
Systematic / IUPAC Name: 1-Ethyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea
ID: Reference9485
Other Names: NAT17-347255
Formula: C14H26N4O4
Spectral Data
1-Ethyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-methyl-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 | 2 |
| No. of Spectra | 1803 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/16/2020 12:54:56 PM |
Identificators
| InChI | InChI=1S/C14H26N4O4/c1-3-15-14(20)16-10-9-8-21-13(22-9)11(12(10)19)18-6-4-17(2)5-7-18/h9-13,19H,3-8H2,1-2H3,(H2,15,16,20)/t9-,10-,11-,12+,13-/m1/s1 |
| InChI Key | DHXPGXHJGNRRBV-NJMOYASZSA-N |
| Canonical SMILES | CCNC(=O)NC1C2COC(O2)C(C1O)N3CCN(CC3)C |
| CAS | |
| Splash | |
| Other Names | NAT17-347255 |