CID 3069741

Uracil, 5-fluoro-1-(p-methoxybenzyl)-

Structural Information

Molecular Formula
C12H11FN2O3
SMILES
COC1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C12H11FN2O3/c1-18-9-4-2-8(3-5-9)6-15-7-10(13)11(16)14-12(15)17/h2-5,7H,6H2,1H3,(H,14,16,17)
InChIKey
IWTFDHOAOPEINT-UHFFFAOYSA-N
Compound name
5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.07536 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08264 151.2
[M+Na]+ 273.06458 162.4
[M-H]- 249.06808 153.7
[M+NH4]+ 268.10918 165.4
[M+K]+ 289.03852 157.6
[M+H-H2O]+ 233.07262 141.9
[M+HCOO]- 295.07356 171.9
[M+CH3COO]- 309.08921 190.9
[M+Na-2H]- 271.05003 156.3
[M]+ 250.07481 152.1
[M]- 250.07591 152.1
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.