CID 454547

1-me3sietome-6phs t

Structural Information

Molecular Formula
C17H24N2O3SSi
SMILES
CC1=C(N(C(=O)NC1=O)COCC[Si](C)(C)C)SC2=CC=CC=C2
InChI
InChI=1S/C17H24N2O3SSi/c1-13-15(20)18-17(21)19(12-22-10-11-24(2,3)4)16(13)23-14-8-6-5-7-9-14/h5-9H,10-12H2,1-4H3,(H,18,20,21)
InChIKey
XHCKCIDCEXXYHT-UHFFFAOYSA-N
Compound name
5-methyl-6-phenylsulfanyl-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

364.1277 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13498 184.7
[M+Na]+ 387.11692 193.3
[M-H]- 363.12042 187.6
[M+NH4]+ 382.16152 195.5
[M+K]+ 403.09086 187.2
[M+H-H2O]+ 347.12496 176.0
[M+HCOO]- 409.12590 197.7
[M+CH3COO]- 423.14155 210.4
[M+Na-2H]- 385.10237 185.2
[M]+ 364.12715 190.2
[M]- 364.12825 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.