2,5-Anhydro-4,6-dideoxy-6-{[(2,4-difluorophenyl)carbamoyl]amino}-4-{methyl[2-(2-pyridinyl)ethyl]amino}-D-galactitol

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Systematic / IUPAC Name: 1-(2,4-Difluorophenyl)-3-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]urea

ID: Reference11049

Other Names: D-Galactitol, 2,5-anhydro-4,6-dideoxy-6-[[[(2,4-difluorophenyl)amino]carbonyl]amino]-4-[methyl[2-(2-pyridinyl)ethyl]amino]-;
NAT27-401684

Formula: C21H26F2N4O4

Spectral Data

2,5-Anhydro-4,6-dideoxy-6-{[(2,4-difluorophenyl)carbamoyl]amino}-4-{methyl[2-(2-pyridinyl)ethyl]amino}-D-galactitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2075
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/19/2021 12:24:21 PM
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Identificators

InChI InChI=1S/C21H26F2N4O4/c1-27(9-7-14-4-2-3-8-24-14)19-17(31-18(12-28)20(19)29)11-25-21(30)26-16-6-5-13(22)10-15(16)23/h2-6,8,10,17-20,28-29H,7,9,11-12H2,1H3,(H2,25,26,30)/t17-,18+,19+,20-/m1/s1
InChI Key KDZXCPBBSKQKMV-FUMNGEBKSA-N
Canonical SMILES CN(CCC1=CC=CC=N1)C2C(OC(C2O)CO)CNC(=O)NC3=C(C=C(C=C3)F)F
CAS
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Other Names D-Galactitol, 2,5-anhydro-4,6-dideoxy-6-[[[(2,4-difluorophenyl)amino]carbonyl]amino]-4-[methyl[2-(2-pyridinyl)ethyl]amino]-;
NAT27-401684

In Other Databases

ChemSpider 22807422
PubChem 28962277