CID 130516

103579-36-8

Structural Information

Molecular Formula
C17H22FN3O3SSi
SMILES
C[Si](C)(CCSCCNC(=O)N1C=C(C(=O)NC1=O)F)C2=CC=CC=C2
InChI
InChI=1S/C17H22FN3O3SSi/c1-26(2,13-6-4-3-5-7-13)11-10-25-9-8-19-16(23)21-12-14(18)15(22)20-17(21)24/h3-7,12H,8-11H2,1-2H3,(H,19,23)(H,20,22,24)
InChIKey
AJSCIXMGTRAODP-UHFFFAOYSA-N
Compound name
N-[2-[2-[dimethyl(phenyl)silyl]ethylsulfanyl]ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

395.11353 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.12081 190.6
[M+Na]+ 418.10275 200.6
[M+NH4]+ 413.14735 194.4
[M+K]+ 434.07669 193.2
[M-H]- 394.10625 190.1
[M+Na-2H]- 416.08820 194.9
[M]+ 395.11298 192.0
[M]- 395.11408 192.0
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