1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(dimethylamino)benzoyl]amino}-5-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-L-iditol

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[[4-(3-Fluorophenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-(dimethylamino)benzamide

ID: Reference12270

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(dimethylamino)benzoyl]amino]-5-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-;
NAT6-324267

Formula: C25H26FN5O3

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(dimethylamino)benzoyl]amino}-5-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-L-iditol 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 1805
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/16/2023 4:02:07 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H26FN5O3/c1-31(2)18-8-6-15(7-9-18)24(32)28-20-13-33-23-21(14-34-22(20)23)30-25-27-11-10-19(29-25)16-4-3-5-17(26)12-16/h3-12,20-23H,13-14H2,1-2H3,(H,28,32)(H,27,29,30)/t20-,21-,22+,23+/m0/s1
InChI Key QGSMOGGIBYNNHX-MYDTUXCISA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC(=CC=C5)F
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(dimethylamino)benzoyl]amino]-5-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-;
NAT6-324267

In Other Databases

ChemSpider 10086232
PubChem 11911909