For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-(6-(methyl(3-morpholinopropyl)amino)pyridin-2-yl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol

View entire compound with spectra: 1 MS (GC)

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-(6-(methyl(3-morpholinopropyl)amino)pyridin-2-yl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
SpectraBase Compound ID 2qhqR7I4cPp
InChI InChI=1S/C29H40F2N8O2/c1-23(29(40,20-39-22-32-21-33-39)25-8-7-24(30)19-26(25)31)37-11-13-38(14-12-37)28-6-3-5-27(34-28)35(2)9-4-10-36-15-17-41-18-16-36/h3,5-8,19,21-23,40H,4,9-18,20H2,1-2H3/t23-,29-/m1/s1
InChIKey FNFFECSDEOXSIK-RNWIMVQKSA-N
Mol Weight 570.7 g/mol
Molecular Formula C29H40F2N8O2
Exact Mass 570.324229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7HrrFVRVWoA
Name (2R,3R)-2-(2,4-difluorophenyl)-3-(4-(6-(methyl(3-morpholinopropyl)amino)pyridin-2-yl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40F2N8O2
InChI InChI=1S/C29H40F2N8O2/c1-23(29(40,20-39-22-32-21-33-39)25-8-7-24(30)19-26(25)31)37-11-13-38(14-12-37)28-6-3-5-27(34-28)35(2)9-4-10-36-15-17-41-18-16-36/h3,5-8,19,21-23,40H,4,9-18,20H2,1-2H3/t23-,29-/m1/s1
InChIKey FNFFECSDEOXSIK-RNWIMVQKSA-N
Ionization Type EI
Molecular Weight 570.690 g/mol
SMILES O[C@](C[n]1ncnc1)([C@@](C)(N1CCN(CC1)c1cccc(n1)N(CCCN1CCOCC1)C)[H])c1ccc(cc1F)F
SPLASH splash10-0udj-0904000000-e0ddc316f9a443b50bb1
Source of Spectrum US20100144712A1
Wiley ID 1842370