2,5-Anhydro-4,6-dideoxy-6-{[(2,4-difluorophenyl)carbamoyl]amino}-4-(1-pyrrolidinyl)-D-galactitol
11026
Reference
2,5-Anhydro-4,6-dideoxy-6-{[(2,4-difluorophenyl)carbamoyl]amino}-4-(1-pyrrolidinyl)-D-galactitol Structure
Systematic / IUPAC Name: 1-(2,4-Difluorophenyl)-3-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-pyrrolidin-1-yloxolan-2-yl]methyl]urea
ID: Reference11026
Other Names: NAT27-401252
Formula: C17H23F2N3O4
Spectral Data
2,5-Anhydro-4,6-dideoxy-6-{[(2,4-difluorophenyl)carbamoyl]amino}-4-(1-pyrrolidinyl)-D-galactitol 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 | 1370 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/12/2021 7:11:37 AM |
Identificators
| InChI | InChI=1S/C17H23F2N3O4/c18-10-3-4-12(11(19)7-10)21-17(25)20-8-13-15(22-5-1-2-6-22)16(24)14(9-23)26-13/h3-4,7,13-16,23-24H,1-2,5-6,8-9H2,(H2,20,21,25)/t13-,14+,15+,16-/m1/s1 |
| InChI Key | LZHWPYAQCCXRTM-FXUDXRNXSA-N |
| Canonical SMILES | C1CCN(C1)C2C(OC(C2O)CO)CNC(=O)NC3=C(C=C(C=C3)F)F |
| CAS | |
| Splash | |
| Other Names | NAT27-401252 |