CID 135744231

143329-00-4

Structural Information

Molecular Formula
C13H11FN2O3
SMILES
CCOC(=O)C1=C(C(=O)NC(=N1)C2=CC=CC=C2)F
InChI
InChI=1S/C13H11FN2O3/c1-2-19-13(18)10-9(14)12(17)16-11(15-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,15,16,17)
InChIKey
WTIXZUKEKNWPLM-UHFFFAOYSA-N
Compound name
ethyl 5-fluoro-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.07538 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08266 155.5
[M+Na]+ 285.06460 165.1
[M-H]- 261.06810 157.5
[M+NH4]+ 280.10920 168.8
[M+K]+ 301.03854 160.6
[M+H-H2O]+ 245.07264 146.0
[M+HCOO]- 307.07358 174.9
[M+CH3COO]- 321.08923 192.8
[M+Na-2H]- 283.05005 159.7
[M]+ 262.07483 155.6
[M]- 262.07593 155.6
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

patents stripe