(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl}-6-[(isopropylcarbamoyl)amino]-D-erythro-hexitol
11165
Reference
(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl}-6-[(isopropylcarbamoyl)amino]-D-erythro-hexitol Structure
Systematic / IUPAC Name: 1-[[(2R,3S,6S)-6-[[5-(4-Fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-3-propan-2-ylurea
ID: Reference11165
Other Names: NAT12-540364
Formula: C20H26FN3O4
Spectral Data
(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl}-6-[(isopropylcarbamoyl)amino]-D-erythro-hexitol 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 | 1558 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/28/2022 8:34:30 AM |
Identificators
| InChI | InChI=1S/C20H26FN3O4/c1-12(2)23-20(26)22-11-19-17(25)8-7-16(27-19)9-15-10-18(28-24-15)13-3-5-14(21)6-4-13/h3-6,10,12,16-17,19,25H,7-9,11H2,1-2H3,(H2,22,23,26)/t16-,17-,19+/m0/s1 |
| InChI Key | HQDAZGPRTONRNK-JENIJYKNSA-N |
| Canonical SMILES | CC(C)NC(=O)NCC1C(CCC(O1)CC2=NOC(=C2)C3=CC=C(C=C3)F)O |
| CAS | |
| Splash | |
| Other Names | NAT12-540364 |