1-[(1S,2S,3S,4R,5R)-4-(Diethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-(4-methoxyphenyl)urea
10096
Reference
1-[(1S,2S,3S,4R,5R)-4-(Diethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-(4-methoxyphenyl)urea Structure
Systematic / IUPAC Name: 1-[(1S,2S,3S,4R,5R)-4-(Diethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-(4-methoxyphenyl)urea
ID: Reference10096
Other Names: NAT17-347061
Formula: C18H27N3O5
Spectral Data
1-[(1S,2S,3S,4R,5R)-4-(Diethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-(4-methoxyphenyl)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 | 816 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/27/2020 12:10:46 PM |
Identificators
| InChI | InChI=1S/C18H27N3O5/c1-4-21(5-2)15-16(22)14(13-10-25-17(15)26-13)20-18(23)19-11-6-8-12(24-3)9-7-11/h6-9,13-17,22H,4-5,10H2,1-3H3,(H2,19,20,23)/t13-,14-,15-,16+,17-/m1/s1 |
| InChI Key | SZBIGZZBXHDICC-OVYGPGRDSA-N |
| Canonical SMILES | CCN(CC)C1C(C(C2COC1O2)NC(=O)NC3=CC=C(C=C3)OC)O |
| CAS | |
| Splash | |
| Other Names | NAT17-347061 |