CID 13670437

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

Structural Information

Molecular Formula
C19H26FN3O3SSi
SMILES
C[Si](C)(CCCSCCCNC(=O)N1C=C(C(=O)NC1=O)F)C2=CC=CC=C2
InChI
InChI=1S/C19H26FN3O3SSi/c1-28(2,15-8-4-3-5-9-15)13-7-12-27-11-6-10-21-18(25)23-14-16(20)17(24)22-19(23)26/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKey
UJRSJYJZGIUWGP-UHFFFAOYSA-N
Compound name
N-[3-[3-[dimethyl(phenyl)silyl]propylsulfanyl]propyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

423.1448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.15208 198.7
[M+Na]+ 446.13402 204.6
[M-H]- 422.13752 199.4
[M+NH4]+ 441.17862 206.2
[M+K]+ 462.10796 197.4
[M+H-H2O]+ 406.14206 188.2
[M+HCOO]- 468.14300 210.1
[M+CH3COO]- 482.15865 221.5
[M+Na-2H]- 444.11947 198.2
[M]+ 423.14425 201.2
[M]- 423.14535 201.2
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