CID 13670429

1(2h)-pyrimidinecarboxamide, 3,4-dihydro-2,4-dioxo-5-fluoro-n-(3-((2-(trimethylsilyl)ethyl)thio)propyl)-

Structural Information

Molecular Formula
C13H22FN3O3SSi
SMILES
C[Si](C)(C)CCSCCCNC(=O)N1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C13H22FN3O3SSi/c1-22(2,3)8-7-21-6-4-5-15-12(19)17-9-10(14)11(18)16-13(17)20/h9H,4-8H2,1-3H3,(H,15,19)(H,16,18,20)
InChIKey
JZEGERYKDIFXJW-UHFFFAOYSA-N
Compound name
5-fluoro-2,4-dioxo-N-[3-(2-trimethylsilylethylsulfanyl)propyl]pyrimidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

347.11353 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12081 179.9
[M+Na]+ 370.10275 187.7
[M+NH4]+ 365.14735 183.1
[M+K]+ 386.07669 181.7
[M-H]- 346.10625 176.6
[M+Na-2H]- 368.08820 180.8
[M]+ 347.11298 180.0
[M]- 347.11408 180.0
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

patents stripe