CID 3064722

Uracil, 5-fluoro-n-((p-propoxyphenyl)sulfonyl)-

Structural Information

Molecular Formula
C13H13FN2O5S
SMILES
CCCOC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C13H13FN2O5S/c1-2-7-21-9-3-5-10(6-4-9)22(19,20)16-8-11(14)12(17)15-13(16)18/h3-6,8H,2,7H2,1H3,(H,15,17,18)
InChIKey
MMOFBPZVDNNXQR-UHFFFAOYSA-N
Compound name
5-fluoro-1-(4-propoxyphenyl)sulfonylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

328.05292 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06020 169.0
[M+Na]+ 351.04214 179.9
[M-H]- 327.04564 171.5
[M+NH4]+ 346.08674 180.2
[M+K]+ 367.01608 174.4
[M+H-H2O]+ 311.05018 160.1
[M+HCOO]- 373.05112 183.4
[M+CH3COO]- 387.06677 201.1
[M+Na-2H]- 349.02759 171.9
[M]+ 328.05237 173.2
[M]- 328.05347 173.2
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

No patent data available for this compound.