2-{(2S,3R,4S,5R)-5-[(4-{[Benzyl(methyl)amino]methyl}-1H-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxytetrahydro-2-furanyl}-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone
9161
Reference
2-{(2S,3R,4S,5R)-5-[(4-{[Benzyl(methyl)amino]methyl}-1H-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxytetrahydro-2-furanyl}-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone Structure
Systematic / IUPAC Name: 2-[(2S,3R,4S,5R)-5-[[4-[[Benzyl(methyl)amino]methyl]triazol-1-yl]methyl]-3,4-dihydroxyoxolan-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
ID: Reference9161
Other Names: NAT19-354115
Formula: C29H38N6O5
Spectral Data
2-{(2S,3R,4S,5R)-5-[(4-{[Benzyl(methyl)amino]methyl}-1H-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxytetrahydro-2-furanyl}-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone 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 | 1 |
| No. of Spectra | 2076 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/22/2019 7:02:34 AM |
Identificators
| InChI | InChI=1S/C29H38N6O5/c1-32(17-21-8-4-3-5-9-21)18-22-19-35(31-30-22)20-26-29(38)28(37)25(40-26)16-27(36)34-14-12-33(13-15-34)23-10-6-7-11-24(23)39-2/h3-11,19,25-26,28-29,37-38H,12-18,20H2,1-2H3/t25-,26+,28-,29+/m0/s1 |
| InChI Key | FIWPWRQNNFZGAU-IXGYBEARSA-N |
| Canonical SMILES | CN(CC1=CC=CC=C1)CC2=CN(N=N2)CC3C(C(C(O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5OC)O)O |
| CAS | |
| Splash | |
| Other Names | NAT19-354115 |