CID 3007909

94817-51-3

Structural Information

Molecular Formula
C10H13FN2O6
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)CO
InChI
InChI=1S/C10H13FN2O6/c11-6-7(16)5(3-15)19-9(6)13-1-4(2-14)8(17)12-10(13)18/h1,5-7,9,14-16H,2-3H2,(H,12,17,18)/t5-,6+,7-,9-/m1/s1
InChIKey
QQGGRUHEDAEEQQ-JVZYCSMKSA-N
Compound name
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

276.07578 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08306 156.1
[M+Na]+ 299.06500 165.8
[M-H]- 275.06850 155.5
[M+NH4]+ 294.10960 167.8
[M+K]+ 315.03894 162.4
[M+H-H2O]+ 259.07304 148.7
[M+HCOO]- 321.07398 170.3
[M+CH3COO]- 335.08963 188.5
[M+Na-2H]- 297.05045 156.0
[M]+ 276.07523 154.5
[M]- 276.07633 154.5
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.