CID 24208940

853313-94-7

Structural Information

Molecular Formula
C12H12FN3O3
SMILES
CC1=C(C(NC(=O)N1)C2=C(C=NC=C2)F)C(=O)OC
InChI
InChI=1S/C12H12FN3O3/c1-6-9(11(17)19-2)10(16-12(18)15-6)7-3-4-14-5-8(7)13/h3-5,10H,1-2H3,(H2,15,16,18)
InChIKey
FWWWFLPRRWNLSU-UHFFFAOYSA-N
Compound name
methyl 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

265.08627 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09355 159.4
[M+Na]+ 288.07549 167.9
[M-H]- 264.07899 158.5
[M+NH4]+ 283.12009 170.6
[M+K]+ 304.04943 163.0
[M+H-H2O]+ 248.08353 149.8
[M+HCOO]- 310.08447 173.4
[M+CH3COO]- 324.10012 192.3
[M+Na-2H]- 286.06094 160.9
[M]+ 265.08572 155.4
[M]- 265.08682 155.4
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.