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

ID: Reference8986

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-5-[(2-methoxyacetyl)amino]-;
NAT6-324252

Formula: C19H21FN4O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-[(methoxyacetyl)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 3475
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/10/2019 11:34:22 AM
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Identificators

InChI InChI=1S/C19H21FN4O4/c1-26-10-16(25)22-14-8-27-18-15(9-28-17(14)18)24-19-21-6-5-13(23-19)11-3-2-4-12(20)7-11/h2-7,14-15,17-18H,8-10H2,1H3,(H,22,25)(H,21,23,24)/t14-,15-,17+,18+/m0/s1
InChI Key LFACFSSFPGPXLQ-CWLKWCNXSA-N
Canonical SMILES COCC(=O)NC1COC2C1OCC2NC3=NC=CC(=N3)C4=CC(=CC=C4)F
CAS
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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-methoxyacetyl)amino]-;
NAT6-324252

In Other Databases

ChemSpider 10087674
PubChem 11913351