1-{(1S,2S,3S,4R,5R)-3-Hydroxy-4-[(2-methoxyethyl)amino]-6,8-dioxabicyclo[3.2.1]oct-2-yl}-3-(3-methoxyphenyl)urea
9536
Reference
1-{(1S,2S,3S,4R,5R)-3-Hydroxy-4-[(2-methoxyethyl)amino]-6,8-dioxabicyclo[3.2.1]oct-2-yl}-3-(3-methoxyphenyl)urea Structure
Systematic / IUPAC Name: 1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-(2-methoxyethylamino)-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-(3-methoxyphenyl)urea
ID: Reference9536
Other Names: NAT17-347108
Formula: C17H25N3O6
Spectral Data
1-{(1S,2S,3S,4R,5R)-3-Hydroxy-4-[(2-methoxyethyl)amino]-6,8-dioxabicyclo[3.2.1]oct-2-yl}-3-(3-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 | 2 |
| No. of Spectra | 2513 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/1/2020 7:04:28 AM |
Identificators
| InChI | InChI=1S/C17H25N3O6/c1-23-7-6-18-14-15(21)13(12-9-25-16(14)26-12)20-17(22)19-10-4-3-5-11(8-10)24-2/h3-5,8,12-16,18,21H,6-7,9H2,1-2H3,(H2,19,20,22)/t12-,13-,14-,15+,16-/m1/s1 |
| InChI Key | OIEYMKBOTBEREC-DGXTUMSLSA-N |
| Canonical SMILES | COCCNC1C(C(C2COC1O2)NC(=O)NC3=CC(=CC=C3)OC)O |
| CAS | |
| Splash | |
| Other Names | NAT17-347108 |