2,5-Anhydro-6-{[(3-chlorophenyl)carbamoyl]amino}-4,6-dideoxy-4-{[2-(dimethylamino)ethyl](methyl)amino}-D-galactitol

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Systematic / IUPAC Name: 1-(3-Chlorophenyl)-3-[[(2R,3R,4S,5S)-3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]urea

ID: Reference11028

Other Names: NAT27-401218

Formula: C18H29ClN4O4

Spectral Data

2,5-Anhydro-6-{[(3-chlorophenyl)carbamoyl]amino}-4,6-dideoxy-4-{[2-(dimethylamino)ethyl](methyl)amino}-D-galactitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 935
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/12/2021 7:13:39 AM
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Identificators

InChI InChI=1S/C18H29ClN4O4/c1-22(2)7-8-23(3)16-14(27-15(11-24)17(16)25)10-20-18(26)21-13-6-4-5-12(19)9-13/h4-6,9,14-17,24-25H,7-8,10-11H2,1-3H3,(H2,20,21,26)/t14-,15+,16+,17-/m1/s1
InChI Key IBZOFSNGPZARLN-LTIDMASMSA-N
Canonical SMILES CN(C)CCN(C)C1C(OC(C1O)CO)CNC(=O)NC2=CC(=CC=C2)Cl
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Other Names NAT27-401218

In Other Databases

PubChem 28961487
ChemSpider 22807088