2,5-Anhydro-4,6-dideoxy-6-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}-4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-D-galactitol

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Systematic / IUPAC Name: N-[[(2R,3R,4S,5S)-4-Hydroxy-5-(hydroxymethyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-yl]methyl]-1-methylpyrazole-4-carboxamide

ID: Reference10171

Other Names: D-Galactitol, 2,5-anhydro-4,6-dideoxy-6-[[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino]-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-;
NAT27-501591

Formula: C22H28F3N5O4

Spectral Data

2,5-Anhydro-4,6-dideoxy-6-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}-4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-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 2
No. of Spectra 4864
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/7/2021 2:44:03 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H28F3N5O4/c1-28-12-14(10-27-28)21(33)26-11-17-19(20(32)18(13-31)34-17)30-7-5-29(6-8-30)16-4-2-3-15(9-16)22(23,24)25/h2-4,9-10,12,17-20,31-32H,5-8,11,13H2,1H3,(H,26,33)/t17-,18+,19+,20-/m1/s1
InChI Key NEKJPEYYPJDLHQ-FUMNGEBKSA-N
Canonical SMILES CN1C=C(C=N1)C(=O)NCC2C(C(C(O2)CO)O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
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Other Names D-Galactitol, 2,5-anhydro-4,6-dideoxy-6-[[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino]-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-;
NAT27-501591

In Other Databases

ChemSpider 29849296
PubChem 51136981