1,4:3,6-Dianhydro-2-deoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-O-[(4-phenoxyphenyl)carbamoyl]-D-glucitol

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

ID: Reference8952

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-, 5-[(4-phenoxyphenyl)carbamate];
NAT6-324217

Formula: C29H25FN4O5

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-O-[(4-phenoxyphenyl)carbamoyl]-D-glucitol 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 1
No. of Spectra 2497
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/27/2019 6:22:56 AM
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Identificators

InChI InChI=1S/C29H25FN4O5/c30-19-6-4-5-18(15-19)23-13-14-31-28(33-23)34-24-16-36-27-25(17-37-26(24)27)39-29(35)32-20-9-11-22(12-10-20)38-21-7-2-1-3-8-21/h1-15,24-27H,16-17H2,(H,32,35)(H,31,33,34)/t24-,25+,26+,27+/m0/s1
InChI Key DQQFSGJTSAYFNL-FICKONGGSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)NC5=NC=CC(=N5)C6=CC(=CC=C6)F
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-, 5-[(4-phenoxyphenyl)carbamate];
NAT6-324217

In Other Databases

PubChem 11913115
ChemSpider 10087438