N-{[(2R,3S,4S,5S)-5-(2-{[2-(Dimethylamino)ethyl]amino}-2-oxoethyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-1,3-benzodioxole-5-carboxamide
8983
Reference
N-{[(2R,3S,4S,5S)-5-(2-{[2-(Dimethylamino)ethyl]amino}-2-oxoethyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-1,3-benzodioxole-5-carboxamide Structure
Systematic / IUPAC Name: N-[[(2R,3S,5S)-5-[2-[2-(Dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
ID: Reference8983
Other Names: NAT19-347638
Formula: C19H27N3O7
Spectral Data
N-{[(2R,3S,4S,5S)-5-(2-{[2-(Dimethylamino)ethyl]amino}-2-oxoethyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-1,3-benzodioxole-5-carboxamide 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 FAIMS |
| No. of Spectral Trees | 2 |
| No. of Spectra | 2421 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/2/2024 12:07:43 PM |
Identificators
| InChI | InChI=1S/C19H27N3O7/c1-22(2)6-5-20-16(23)8-14-17(24)18(25)15(29-14)9-21-19(26)11-3-4-12-13(7-11)28-10-27-12/h3-4,7,14-15,17-18,24-25H,5-6,8-10H2,1-2H3,(H,20,23)(H,21,26)/t14-,15+,17?,18+/m0/s1 |
| InChI Key | UXFSYDXAGPYWPR-WYJPGFMXSA-N |
| Canonical SMILES | CN(C)CCNC(=O)CC1C(C(C(O1)CNC(=O)C2=CC3=C(C=C2)OCO3)O)O |
| CAS | |
| Splash | |
| Other Names | NAT19-347638 |