CID 3010090

Chembl333559

Structural Information

Molecular Formula
C8H11FN2O5
SMILES
C1=C(C(=O)NC(=O)N1COC(CO)CO)F
InChI
InChI=1S/C8H11FN2O5/c9-6-1-11(8(15)10-7(6)14)4-16-5(2-12)3-13/h1,5,12-13H,2-4H2,(H,10,14,15)
InChIKey
KPMLGIYWYCZVPK-UHFFFAOYSA-N
Compound name
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

234.0652 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07248 144.9
[M+Na]+ 257.05442 154.0
[M-H]- 233.05792 141.1
[M+NH4]+ 252.09902 158.2
[M+K]+ 273.02836 151.0
[M+H-H2O]+ 217.06246 137.1
[M+HCOO]- 279.06340 161.9
[M+CH3COO]- 293.07905 182.4
[M+Na-2H]- 255.03987 148.2
[M]+ 234.06465 145.0
[M]- 234.06575 145.0
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