1,4:3,6-Dianhydro-2-[(cyclopropylcarbonyl)amino]-2,5-dideoxy-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]cyclopropanecarboxamide

ID: Reference9013

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(cyclopropylcarbonyl)amino]-2,5-dideoxy-5-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-;
NAT6-324246

Formula: C20H21FN4O3

Spectral Data

1,4:3,6-Dianhydro-2-[(cyclopropylcarbonyl)amino]-2,5-dideoxy-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 3582
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/17/2019 8:11:56 AM
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Identificators

InChI InChI=1S/C20H21FN4O3/c21-13-3-1-2-12(8-13)14-6-7-22-20(24-14)25-16-10-28-17-15(9-27-18(16)17)23-19(26)11-4-5-11/h1-3,6-8,11,15-18H,4-5,9-10H2,(H,23,26)(H,22,24,25)/t15-,16-,17+,18+/m0/s1
InChI Key NRPIWFVSBVHPDI-WNRNVDISSA-N
Canonical SMILES C1CC1C(=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-[(cyclopropylcarbonyl)amino]-2,5-dideoxy-5-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-;
NAT6-324246

In Other Databases

ChemSpider 10087672
PubChem 11913349