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 195.8
[M+Na]+ 426.16534 201.5
[M-H]- 402.16884 193.5
[M+NH4]+ 421.20994 204.8
[M+K]+ 442.13928 196.0
[M+H-H2O]+ 386.17338 187.1
[M+HCOO]- 448.17432 204.8
[M+CH3COO]- 462.18997 219.5
[M+Na-2H]- 424.15079 194.7
[M]+ 403.17557 199.4
[M]- 403.17667 199.4
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