CID 9838997

Unii-omz81a5kdu

Structural Information

Molecular Formula
C10H13FN2O7
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)F
InChI
InChI=1S/C10H13FN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5+,6+,7-,9-/m1/s1
InChIKey
YHWGRVDTEORPPJ-WENHOLORSA-N
Compound name
5-fluoro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

19
Patents

292.07068 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07796 164.6
[M+Na]+ 315.05990 173.7
[M+NH4]+ 310.10450 166.5
[M+K]+ 331.03384 172.8
[M-H]- 291.06340 162.0
[M+Na-2H]- 313.04535 163.8
[M]+ 292.07013 164.4
[M]- 292.07123 164.4
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

patents stripe