1-Allyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-morpholinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea
9477
Reference
1-Allyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-morpholinyl)-6,8-dioxabicyclo[3.2.1]oct-2-yl]urea Structure
Systematic / IUPAC Name: 1-[(1S,2S,3S,4R,5R)-3-Hydroxy-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-prop-2-enylurea
ID: Reference9477
Other Names: NAT17-347169
Formula: C14H23N3O5
Spectral Data
1-Allyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(4-morpholinyl)-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 | 2970 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/12/2020 8:49:05 AM |
Identificators
| InChI | InChI=1S/C14H23N3O5/c1-2-3-15-14(19)16-10-9-8-21-13(22-9)11(12(10)18)17-4-6-20-7-5-17/h2,9-13,18H,1,3-8H2,(H2,15,16,19)/t9-,10-,11-,12+,13-/m1/s1 |
| InChI Key | VDTOFIAWBIWPET-NJMOYASZSA-N |
| Canonical SMILES | C=CCNC(=O)NC1C2COC(O2)C(C1O)N3CCOCC3 |
| CAS | |
| Splash | |
| Other Names | NAT17-347169 |