CID 3064714

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

Structural Information

Molecular Formula
C14H15FN2O5S
SMILES
CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C14H15FN2O5S/c1-2-3-8-22-10-4-6-11(7-5-10)23(20,21)17-9-12(15)13(18)16-14(17)19/h4-7,9H,2-3,8H2,1H3,(H,16,18,19)
InChIKey
QAGFCWPECNQFNN-UHFFFAOYSA-N
Compound name
1-(4-butoxyphenyl)sulfonyl-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.06857 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07585 173.4
[M+Na]+ 365.05779 183.8
[M-H]- 341.06129 175.7
[M+NH4]+ 360.10239 184.0
[M+K]+ 381.03173 178.1
[M+H-H2O]+ 325.06583 164.2
[M+HCOO]- 387.06677 187.4
[M+CH3COO]- 401.08242 204.0
[M+Na-2H]- 363.04324 175.8
[M]+ 342.06802 177.8
[M]- 342.06912 177.8
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.