CID 13670436

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

Structural Information

Molecular Formula
C17H30FN3O3SSi
SMILES
CCCC[Si](C)(C)CCCSCCCNC(=O)N1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C17H30FN3O3SSi/c1-4-5-11-26(2,3)12-7-10-25-9-6-8-19-16(23)21-13-14(18)15(22)20-17(21)24/h13H,4-12H2,1-3H3,(H,19,23)(H,20,22,24)
InChIKey
IHAVOBRDXUOETP-UHFFFAOYSA-N
Compound name
N-[3-[3-[butyl(dimethyl)silyl]propylsulfanyl]propyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

403.17612 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.18340 196.7
[M+Na]+ 426.16534 203.7
[M+NH4]+ 421.20994 199.2
[M+K]+ 442.13928 196.8
[M-H]- 402.16884 193.2
[M+Na-2H]- 424.15079 196.7
[M]+ 403.17557 196.6
[M]- 403.17667 196.6
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