CID 13670431

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

Structural Information

Molecular Formula
C14H24FN3O3SSi
SMILES
C[Si](C)(C)CCCSCCCNC(=O)N1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C14H24FN3O3SSi/c1-23(2,3)9-5-8-22-7-4-6-16-13(20)18-10-11(15)12(19)17-14(18)21/h10H,4-9H2,1-3H3,(H,16,20)(H,17,19,21)
InChIKey
NQGIKWSBNCSQLC-UHFFFAOYSA-N
Compound name
5-fluoro-2,4-dioxo-N-[3-(3-trimethylsilylpropylsulfanyl)propyl]pyrimidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

361.12918 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.13646 184.1
[M+Na]+ 384.11840 191.7
[M+NH4]+ 379.16300 187.1
[M+K]+ 400.09234 185.5
[M-H]- 360.12190 180.8
[M+Na-2H]- 382.10385 184.8
[M]+ 361.12863 184.2
[M]- 361.12973 184.2
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