CID 3025409

102613-15-0

Structural Information

Molecular Formula
C13H12BrFN2O3
SMILES
CCOC1=C(C=C(C=C1)CN2C(=O)C(=CNC2=O)F)Br
InChI
InChI=1S/C13H12BrFN2O3/c1-2-20-11-4-3-8(5-9(11)14)7-17-12(18)10(15)6-16-13(17)19/h3-6H,2,7H2,1H3,(H,16,19)
InChIKey
ZWBDXEYDQFNUHS-UHFFFAOYSA-N
Compound name
3-[(3-bromo-4-ethoxyphenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.00153 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.00881 163.2
[M+Na]+ 364.99075 176.9
[M-H]- 340.99425 168.2
[M+NH4]+ 360.03535 177.8
[M+K]+ 380.96469 163.9
[M+H-H2O]+ 324.99879 160.3
[M+HCOO]- 386.99973 181.1
[M+CH3COO]- 401.01538 204.2
[M+Na-2H]- 362.97620 168.1
[M]+ 342.00098 183.3
[M]- 342.00208 183.3
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.