CID 935600

Uracil, 5-fluoro-n-((p-(2-methylpropoxy)phenyl)sulfonyl)-

Structural Information

Molecular Formula
C14H15FN2O5S
SMILES
CC(C)COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C14H15FN2O5S/c1-9(2)8-22-10-3-5-11(6-4-10)23(20,21)17-7-12(15)13(18)16-14(17)19/h3-7,9H,8H2,1-2H3,(H,16,18,19)
InChIKey
LTRMRLWAMQJNGC-UHFFFAOYSA-N
Compound name
5-fluoro-1-[4-(2-methylpropoxy)phenyl]sulfonylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
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 172.5
[M+Na]+ 365.05779 182.6
[M-H]- 341.06129 174.9
[M+NH4]+ 360.10239 183.0
[M+K]+ 381.03173 177.5
[M+H-H2O]+ 325.06583 163.6
[M+HCOO]- 387.06677 185.5
[M+CH3COO]- 401.08242 204.9
[M+Na-2H]- 363.04324 174.0
[M]+ 342.06802 176.4
[M]- 342.06912 176.4
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

patents stripe