CID 174657

Fvau

Structural Information

Molecular Formula
C11H13FN2O5
SMILES
C=CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F
InChI
InChI=1S/C11H13FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h2-3,6-8,10,15-16H,1,4H2,(H,13,17,18)/t6-,7+,8-,10-/m1/s1
InChIKey
XPLOHHLOYRUBAI-IBCQBUCCSA-N
Compound name
5-ethenyl-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

6
References

10
Patents

272.08084 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08812 156.4
[M+Na]+ 295.07006 166.8
[M-H]- 271.07356 157.1
[M+NH4]+ 290.11466 169.1
[M+K]+ 311.04400 162.7
[M+H-H2O]+ 255.07810 149.0
[M+HCOO]- 317.07904 171.9
[M+CH3COO]- 331.09469 190.5
[M+Na-2H]- 293.05551 156.1
[M]+ 272.08029 154.9
[M]- 272.08139 154.9
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