1-{[(2R,3S,4R,5S)-3,4-Dihydroxy-5-{2-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-2-oxoethyl}tetrahydro-2-furanyl]methyl}-3-(3-fluorophenyl)urea
9417
Reference
1-{[(2R,3S,4R,5S)-3,4-Dihydroxy-5-{2-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-2-oxoethyl}tetrahydro-2-furanyl]methyl}-3-(3-fluorophenyl)urea Structure
Systematic / IUPAC Name: 1-[[(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]-3-(3-fluorophenyl)urea
ID: Reference9417
Other Names: NAT19-353872
Formula: C20H28FN3O6
Spectral Data
1-{[(2R,3S,4R,5S)-3,4-Dihydroxy-5-{2-[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]-2-oxoethyl}tetrahydro-2-furanyl]methyl}-3-(3-fluorophenyl)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 | 2784 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/28/2020 11:32:56 AM |
Identificators
| InChI | InChI=1S/C20H28FN3O6/c1-29-11-14-6-3-7-24(14)17(25)9-15-18(26)19(27)16(30-15)10-22-20(28)23-13-5-2-4-12(21)8-13/h2,4-5,8,14-16,18-19,26-27H,3,6-7,9-11H2,1H3,(H2,22,23,28)/t14-,15+,16-,18+,19-/m1/s1 |
| InChI Key | NWSNNJFJELDJJJ-NZKYLMMGSA-N |
| Canonical SMILES | COCC1CCCN1C(=O)CC2C(C(C(O2)CNC(=O)NC3=CC(=CC=C3)F)O)O |
| CAS | |
| Splash | |
| Other Names | NAT19-353872 |