CID 3061468

1-(2-((2-trimethylsilylethyl)thio)ethylcarbamoyl)-5-fluorouracil

Structural Information

Molecular Formula
C12H20FN3O3SSi
SMILES
C[Si](C)(C)CCSCCNC(=O)N1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C12H20FN3O3SSi/c1-21(2,3)7-6-20-5-4-14-11(18)16-8-9(13)10(17)15-12(16)19/h8H,4-7H2,1-3H3,(H,14,18)(H,15,17,19)
InChIKey
ZZCWVAQZNJXOOZ-UHFFFAOYSA-N
Compound name
5-fluoro-2,4-dioxo-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]pyrimidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

333.09787 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10515 175.7
[M+Na]+ 356.08709 183.7
[M+NH4]+ 351.13169 179.1
[M+K]+ 372.06103 177.9
[M-H]- 332.09059 172.4
[M+Na-2H]- 354.07254 176.8
[M]+ 333.09732 175.9
[M]- 333.09842 175.9
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