1-[(1S,2S,3S,4R,5R)-4-(4-Benzyl-1-piperidinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-ethylurea
9517
Reference
1-[(1S,2S,3S,4R,5R)-4-(4-Benzyl-1-piperidinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-ethylurea Structure
Systematic / IUPAC Name: 1-[(1S,2S,3S,4R,5R)-4-(4-Benzylpiperidin-1-yl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-ethylurea
ID: Reference9517
Other Names: NAT17-347029
Formula: C21H31N3O4
Spectral Data
1-[(1S,2S,3S,4R,5R)-4-(4-Benzyl-1-piperidinyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-ethylurea 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 | 1880 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/21/2020 4:01:37 PM |
Identificators
| InChI | InChI=1S/C21H31N3O4/c1-2-22-21(26)23-17-16-13-27-20(28-16)18(19(17)25)24-10-8-15(9-11-24)12-14-6-4-3-5-7-14/h3-7,15-20,25H,2,8-13H2,1H3,(H2,22,23,26)/t16-,17-,18-,19+,20-/m1/s1 |
| InChI Key | PBQZGGAIWPZOBK-LTFPLMDUSA-N |
| Canonical SMILES | CCNC(=O)NC1C2COC(O2)C(C1O)N3CCC(CC3)CC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT17-347029 |