CID 13670435

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

Structural Information

Molecular Formula
C17H30FN3O3SSi
SMILES
CC(C)(C)[Si](C)(C)CCCSCCCNC(=O)N1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C17H30FN3O3SSi/c1-17(2,3)26(4,5)11-7-10-25-9-6-8-19-15(23)21-12-13(18)14(22)20-16(21)24/h12H,6-11H2,1-5H3,(H,19,23)(H,20,22,24)
InChIKey
MYQCJVXGRKNPEJ-UHFFFAOYSA-N
Compound name
N-[3-[3-[tert-butyl(dimethyl)silyl]propylsulfanyl]propyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

403.17612 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.18340 197.8
[M+Na]+ 426.16534 204.4
[M+NH4]+ 421.20994 200.1
[M+K]+ 442.13928 198.7
[M-H]- 402.16884 193.7
[M+Na-2H]- 424.15079 197.7
[M]+ 403.17557 197.6
[M]- 403.17667 197.6
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