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 173.5
[M+Na]+ 356.08709 181.2
[M-H]- 332.09059 171.8
[M+NH4]+ 351.13169 185.3
[M+K]+ 372.06103 176.1
[M+H-H2O]+ 316.09513 165.1
[M+HCOO]- 378.09607 185.7
[M+CH3COO]- 392.11172 204.9
[M+Na-2H]- 354.07254 173.5
[M]+ 333.09732 176.1
[M]- 333.09842 176.1
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