CID 5274084

130450-97-4

Structural Information

Molecular Formula
C11H13FN2O4
SMILES
C=CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)F
InChI
InChI=1S/C11H13FN2O4/c1-2-6-4-14(11(17)13-10(6)16)9-3-7(12)8(5-15)18-9/h2,4,7-9,15H,1,3,5H2,(H,13,16,17)/t7-,8+,9+/m0/s1
InChIKey
CZMARBHMBBXBSW-DJLDLDEBSA-N
Compound name
5-ethenyl-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08594 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09322 153.1
[M+Na]+ 279.07516 163.2
[M-H]- 255.07866 154.7
[M+NH4]+ 274.11976 166.9
[M+K]+ 295.04910 159.3
[M+H-H2O]+ 239.08320 145.3
[M+HCOO]- 301.08414 170.0
[M+CH3COO]- 315.09979 189.0
[M+Na-2H]- 277.06061 153.8
[M]+ 256.08539 151.5
[M]- 256.08649 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.