Systematic / IUPAC Name: (2S,3S,4R,5R)-5-[[(4-Fluorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)oxolan-3-ol
ID: Reference10563
Other Names:
D-Galactitol, 2,5-anhydro-4,6-dideoxy-6-[[(4-fluorophenyl)methyl]amino]-4-[4-(2-pyridinyl)-1-piperazinyl]-;
NAT27-401548
Formula: C22H29FN4O3
2,5-Anhydro-4,6-dideoxy-6-[(4-fluorobenzyl)amino]-4-[4-(2-pyridinyl)-1-piperazinyl]-D-galactitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 2022 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/18/2021 8:32:06 AM |
InChI | InChI=1S/C22H29FN4O3/c23-17-6-4-16(5-7-17)13-24-14-18-21(22(29)19(15-28)30-18)27-11-9-26(10-12-27)20-3-1-2-8-25-20/h1-8,18-19,21-22,24,28-29H,9-15H2/t18-,19+,21+,22-/m1/s1 |
InChI Key | IDDGSHYRSMOZHW-XMGTWHOFSA-N |
Canonical SMILES | C1CN(CCN1C2C(OC(C2O)CO)CNCC3=CC=C(C=C3)F)C4=CC=CC=N4 |
CAS | |
Splash | |
Other Names |
D-Galactitol, 2,5-anhydro-4,6-dideoxy-6-[[(4-fluorophenyl)methyl]amino]-4-[4-(2-pyridinyl)-1-piperazinyl]-; NAT27-401548 |