1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-(2-furoylamino)-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]furan-2-carboxamide

ID: Reference10960

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-5-[(2-furanylcarbonyl)amino]-;
NAT6-324249

Formula: C21H19FN4O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-(2-furoylamino)-L-iditol 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 1440
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/22/2021 6:18:06 AM
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Identificators

InChI InChI=1S/C21H19FN4O4/c22-13-4-1-3-12(9-13)14-6-7-23-21(25-14)26-16-11-30-18-15(10-29-19(16)18)24-20(27)17-5-2-8-28-17/h1-9,15-16,18-19H,10-11H2,(H,24,27)(H,23,25,26)/t15-,16-,18+,19+/m0/s1
InChI Key MDHGDUMGCHFQMW-RNIPGJKVSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)C3=CC=CO3)NC4=NC=CC(=N4)C5=CC(=CC=C5)F
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-5-[(2-furanylcarbonyl)amino]-;
NAT6-324249

In Other Databases

ChemSpider 10087673
PubChem 11913350