N-({(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-oxo-2-(2-propyn-1-ylamino)ethyl]tetrahydro-2-furanyl}methyl)-4-methylbenzamide
9149
Reference
N-({(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-oxo-2-(2-propyn-1-ylamino)ethyl]tetrahydro-2-furanyl}methyl)-4-methylbenzamide Structure
Systematic / IUPAC Name: N-[[(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-oxo-2-(prop-2-ynylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide
ID: Reference9149
Other Names: NAT19-354066
Formula: C18H22N2O5
Spectral Data
N-({(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-oxo-2-(2-propyn-1-ylamino)ethyl]tetrahydro-2-furanyl}methyl)-4-methylbenzamide 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 | 3306 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/22/2019 12:29:45 PM |
Identificators
| InChI | InChI=1S/C18H22N2O5/c1-3-8-19-15(21)9-13-16(22)17(23)14(25-13)10-20-18(24)12-6-4-11(2)5-7-12/h1,4-7,13-14,16-17,22-23H,8-10H2,2H3,(H,19,21)(H,20,24)/t13-,14+,16-,17+/m0/s1 |
| InChI Key | TWLSTVVGQXPNQX-HDEZJCGLSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)C(=O)NCC2C(C(C(O2)CC(=O)NCC#C)O)O |
| CAS | |
| Splash | |
| Other Names | NAT19-354066 |