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

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

ID: Reference10159

Other Names: D-Galactitol, 2,5-anhydro-4,6-dideoxy-6-[[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino]-4-(4-phenyl-1-piperazinyl)-;
NAT27-501585

Formula: C21H29N5O4

Spectral Data

2,5-Anhydro-4,6-dideoxy-6-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}-4-(4-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 3942
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/7/2021 12:46:42 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H29N5O4/c1-24-13-15(11-23-24)21(29)22-12-17-19(20(28)18(14-27)30-17)26-9-7-25(8-10-26)16-5-3-2-4-6-16/h2-6,11,13,17-20,27-28H,7-10,12,14H2,1H3,(H,22,29)/t17-,18+,19+,20-/m1/s1
InChI Key JULCQBRCEGFHBA-FUMNGEBKSA-N
Canonical SMILES CN1C=C(C=N1)C(=O)NCC2C(C(C(O2)CO)O)N3CCN(CC3)C4=CC=CC=C4
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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-phenyl-1-piperazinyl)-;
NAT27-501585

In Other Databases

PubChem 51136975
ChemSpider 29849290