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 177.8
[M+Na]+ 370.10275 185.0
[M-H]- 346.10625 175.9
[M+NH4]+ 365.14735 189.0
[M+K]+ 386.07669 179.7
[M+H-H2O]+ 330.11079 169.2
[M+HCOO]- 392.11173 189.7
[M+CH3COO]- 406.12738 207.9
[M+Na-2H]- 368.08820 177.4
[M]+ 347.11298 180.7
[M]- 347.11408 180.7
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