1-Ethyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-phenyl-1-piperazinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea
9519
Reference
1-Ethyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-phenyl-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-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea
ID: Reference9519
Other Names: NAT17-347193
Formula: C19H28N4O4
Spectral Data
1-Ethyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-phenyl-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 | 1959 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/21/2020 4:04:05 PM |
Identificators
| InChI | InChI=1S/C19H28N4O4/c1-2-20-19(25)21-15-14-12-26-18(27-14)16(17(15)24)23-10-8-22(9-11-23)13-6-4-3-5-7-13/h3-7,14-18,24H,2,8-12H2,1H3,(H2,20,21,25)/t14-,15-,16-,17+,18-/m1/s1 |
| InChI Key | QDSPYRMQXZFUNE-HSFUPAIVSA-N |
| Canonical SMILES | CCNC(=O)NC1C2COC(O2)C(C1O)N3CCN(CC3)C4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT17-347193 |