CID 13670426

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

Structural Information

Molecular Formula
C14H24FN3O3SSi
SMILES
CC(C)[Si](C)(C)CCSCCNC(=O)N1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C14H24FN3O3SSi/c1-10(2)23(3,4)8-7-22-6-5-16-13(20)18-9-11(15)12(19)17-14(18)21/h9-10H,5-8H2,1-4H3,(H,16,20)(H,17,19,21)
InChIKey
SIQPZGUJSPDFJY-UHFFFAOYSA-N
Compound name
N-[2-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

361.12918 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.13646 181.6
[M+Na]+ 384.11840 188.1
[M-H]- 360.12190 179.7
[M+NH4]+ 379.16300 192.2
[M+K]+ 400.09234 183.2
[M+H-H2O]+ 344.12644 173.0
[M+HCOO]- 406.12738 192.2
[M+CH3COO]- 420.14303 211.7
[M+Na-2H]- 382.10385 179.8
[M]+ 361.12863 184.4
[M]- 361.12973 184.4
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