CID 5386

Tegafur

Structural Information

Molecular Formula
C8H9FN2O3
SMILES
C1CC(OC1)N2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)
InChIKey
WFWLQNSHRPWKFK-UHFFFAOYSA-N
Compound name
5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

6179
References

50355
Patents

200.05972 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06700 141.1
[M+Na]+ 223.04894 152.4
[M+NH4]+ 218.09354 146.9
[M+K]+ 239.02288 149.9
[M-H]- 199.05244 141.6
[M+Na-2H]- 221.03439 145.2
[M]+ 200.05917 142.4
[M]- 200.06027 142.4
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