CID 15956210

2,4(1h,3h)-pyrimidinedione, 1-(2-deoxy-2-fluoro-b-d-arabinofuranosyl)-5-(2,2-difluoroethyl)-

Structural Information

Molecular Formula
C11H13F3N2O5
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)CC(F)F
InChI
InChI=1S/C11H13F3N2O5/c12-6(13)1-4-2-16(11(20)15-9(4)19)10-7(14)8(18)5(3-17)21-10/h2,5-8,10,17-18H,1,3H2,(H,15,19,20)/t5-,7+,8-,10-/m1/s1
InChIKey
DXUZKLIXWIPPJQ-AMCGLFBUSA-N
Compound name
5-(2,2-difluoroethyl)-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.07767 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08495 162.5
[M+Na]+ 333.06689 172.3
[M-H]- 309.07039 160.4
[M+NH4]+ 328.11149 173.4
[M+K]+ 349.04083 168.5
[M+H-H2O]+ 293.07493 153.1
[M+HCOO]- 355.07587 174.7
[M+CH3COO]- 369.09152 197.7
[M+Na-2H]- 331.05234 159.9
[M]+ 310.07712 158.8
[M]- 310.07822 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.