1-[(1S,2S,3S,4R,5R)-4-{[2-(Dimethylamino)ethyl](methyl)amino}-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-(3-methoxyphenyl)urea
9955
Reference
1-[(1S,2S,3S,4R,5R)-4-{[2-(Dimethylamino)ethyl](methyl)amino}-3-hydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]-3-(3-methoxyphenyl)urea Structure
Systematic / IUPAC Name: 1-[(1S,2S,3S,4R,5R)-4-[2-(Dimethylamino)ethyl-methylamino]-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-(3-methoxyphenyl)urea
ID: Reference9955
Other Names: NAT17-347387
Formula: C19H30N4O5
Spectral Data
1-[(1S,2S,3S,4R,5R)-4-{[2-(Dimethylamino)ethyl](methyl)amino}-3-hydroxy-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 | 3664 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/24/2020 6:22:46 AM |
Identificators
| InChI | InChI=1S/C19H30N4O5/c1-22(2)8-9-23(3)16-17(24)15(14-11-27-18(16)28-14)21-19(25)20-12-6-5-7-13(10-12)26-4/h5-7,10,14-18,24H,8-9,11H2,1-4H3,(H2,20,21,25)/t14-,15-,16-,17+,18-/m1/s1 |
| InChI Key | AWCVAQLSOLRVQX-HSFUPAIVSA-N |
| Canonical SMILES | CN(C)CCN(C)C1C(C(C2COC1O2)NC(=O)NC3=CC(=CC=C3)OC)O |
| CAS | |
| Splash | |
| Other Names | NAT17-347387 |