CID 124956

1,3-bis(tetrahydro-2-furanyl)-5-fluoro-2,4-pyrimidinedione

Structural Information

Molecular Formula
C12H15FN2O4
SMILES
C1CC(OC1)N2C=C(C(=O)N(C2=O)C3CCCO3)F
InChI
InChI=1S/C12H15FN2O4/c13-8-7-14(9-3-1-5-18-9)12(17)15(11(8)16)10-4-2-6-19-10/h7,9-10H,1-6H2
InChIKey
FLMBDTNCANYTCP-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

436
Patents

270.1016 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10888 155.5
[M+Na]+ 293.09082 164.1
[M-H]- 269.09432 163.1
[M+NH4]+ 288.13542 169.9
[M+K]+ 309.06476 163.4
[M+H-H2O]+ 253.09886 147.5
[M+HCOO]- 315.09980 173.3
[M+CH3COO]- 329.11545 167.9
[M+Na-2H]- 291.07627 155.4
[M]+ 270.10105 154.4
[M]- 270.10215 154.4
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.