CID 3123384

Methyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C13H13FN2O3
SMILES
CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)OC
InChI
InChI=1S/C13H13FN2O3/c1-7-10(12(17)19-2)11(16-13(18)15-7)8-3-5-9(14)6-4-8/h3-6,11H,1-2H3,(H2,15,16,18)
InChIKey
QHQBVJDIUOFKOF-UHFFFAOYSA-N
Compound name
methyl 4-(4-fluorophenyl)-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

264.09103 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09831 158.6
[M+Na]+ 287.08025 166.7
[M-H]- 263.08375 158.9
[M+NH4]+ 282.12485 171.2
[M+K]+ 303.05419 161.9
[M+H-H2O]+ 247.08829 149.7
[M+HCOO]- 309.08923 173.6
[M+CH3COO]- 323.10488 192.4
[M+Na-2H]- 285.06570 159.6
[M]+ 264.09048 154.5
[M]- 264.09158 154.5
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

No patent data available for this compound.