CID 650029

5937-24-6

Structural Information

Molecular Formula
C14H15FN2O3
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)F)C
InChI
InChI=1S/C14H15FN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(15)7-5-9/h4-7,12H,3H2,1-2H3,(H2,16,17,19)
InChIKey
QGHWHUHDQUDRRI-UHFFFAOYSA-N
Compound name
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

10
Patents

278.10666 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11394 165.4
[M+Na]+ 301.09588 176.5
[M+NH4]+ 296.14048 170.2
[M+K]+ 317.06982 171.4
[M-H]- 277.09938 164.7
[M+Na-2H]- 299.08133 169.2
[M]+ 278.10611 166.3
[M]- 278.10721 166.3
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