CID 16074574

1-[[tert-butyl(dimethyl)silyl]oxy-isobutoxy-dioxo-[?]yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C22H37N3O8SSi
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]34C(O2)CN[C@]3(CS(=O)(=O)O4)OCC(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C22H37N3O8SSi/c1-13(2)11-30-21-12-34(28,29)33-22(21)15(9-23-21)31-18(16(22)32-35(7,8)20(4,5)6)25-10-14(3)17(26)24-19(25)27/h10,13,15-16,18,23H,9,11-12H2,1-8H3,(H,24,26,27)/t15?,16-,18+,21+,22+/m0/s1
InChIKey
KDGGAQXDIOBOPC-WBLZWXLASA-N
Compound name
1-[(1R,5S,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropoxy)-3,3-dioxo-2,9-dioxa-3lambda6-thia-6-azatricyclo[6.3.0.01,5]undecan-10-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

531.2071 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.21438 211.9
[M+Na]+ 554.19632 219.0
[M-H]- 530.19982 216.3
[M+NH4]+ 549.24092 224.0
[M+K]+ 570.17026 220.1
[M+H-H2O]+ 514.20436 212.1
[M+HCOO]- 576.20530 214.6
[M+CH3COO]- 590.22095 235.2
[M+Na-2H]- 552.18177 214.1
[M]+ 531.20655 221.5
[M]- 531.20765 221.5
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.