CID 24208941

853314-24-6

Structural Information

Molecular Formula
C13H14FN3O3
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=C(C=NC=C2)F)C
InChI
InChI=1S/C13H14FN3O3/c1-3-20-12(18)10-7(2)16-13(19)17-11(10)8-4-5-15-6-9(8)14/h4-6,11H,3H2,1-2H3,(H2,16,17,19)
InChIKey
QQHDXAQDWGBJBM-UHFFFAOYSA-N
Compound name
ethyl 4-(3-fluoropyridin-4-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.10193 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10921 163.8
[M+Na]+ 302.09115 171.9
[M-H]- 278.09465 162.7
[M+NH4]+ 297.13575 174.4
[M+K]+ 318.06509 166.7
[M+H-H2O]+ 262.09919 154.1
[M+HCOO]- 324.10013 177.5
[M+CH3COO]- 338.11578 195.3
[M+Na-2H]- 300.07660 164.8
[M]+ 279.10138 160.2
[M]- 279.10248 160.2
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.