CID 16074575

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

Structural Information

Molecular Formula
C22H37N3O8SSi
SMILES
CCCCO[C@]12CS(=O)(=O)O[C@]13[C@H]([C@@H](OC3CN2)N4C=C(C(=O)NC4=O)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C22H37N3O8SSi/c1-8-9-10-30-21-13-34(28,29)33-22(21)15(11-23-21)31-18(16(22)32-35(6,7)20(3,4)5)25-12-14(2)17(26)24-19(25)27/h12,15-16,18,23H,8-11,13H2,1-7H3,(H,24,26,27)/t15?,16-,18+,21+,22+/m0/s1
InChIKey
GZWDFAUPTWFYDA-WBLZWXLASA-N
Compound name
1-[(1R,5S,10R,11R)-5-butoxy-11-[tert-butyl(dimethyl)silyl]oxy-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 212.8
[M+Na]+ 554.19632 220.3
[M-H]- 530.19982 217.1
[M+NH4]+ 549.24092 225.0
[M+K]+ 570.17026 220.7
[M+H-H2O]+ 514.20436 212.5
[M+HCOO]- 576.20530 216.5
[M+CH3COO]- 590.22095 234.3
[M+Na-2H]- 552.18177 215.7
[M]+ 531.20655 222.9
[M]- 531.20765 222.9
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.