CID 13670425

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

Structural Information

Molecular Formula
C19H34FN3O3SSi
SMILES
CCCCCCCC[Si](C)(C)CCSCCNC(=O)N1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C19H34FN3O3SSi/c1-4-5-6-7-8-9-13-28(2,3)14-12-27-11-10-21-18(25)23-15-16(20)17(24)22-19(23)26/h15H,4-14H2,1-3H3,(H,21,25)(H,22,24,26)
InChIKey
UOXPGDOVLLOFEA-UHFFFAOYSA-N
Compound name
N-[2-[2-[dimethyl(octyl)silyl]ethylsulfanyl]ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

431.20743 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.21471 203.1
[M+Na]+ 454.19665 207.6
[M-H]- 430.20015 200.1
[M+NH4]+ 449.24125 210.8
[M+K]+ 470.17059 201.0
[M+H-H2O]+ 414.20469 193.3
[M+HCOO]- 476.20563 213.0
[M+CH3COO]- 490.22128 225.6
[M+Na-2H]- 452.18210 200.0
[M]+ 431.20688 208.2
[M]- 431.20798 208.2
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