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]+ 251.082636 151.2
[M+Na]+ 273.064578 162.4
[M-H]- 249.068084 153.7
[M+NH4]+ 268.109183 165.4
[M+K]+ 289.038518 157.6
[M+H-H2O]+ 233.072620 141.9
[M+HCOO]- 295.073561 171.9
[M+CH3COO]- 309.089211 190.9
[M+Na-2H]- 271.050026 156.3
[M]+ 250.07481142 152.1
[M]- 250.07590858 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.