CID 16074572

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

Structural Information

Molecular Formula
C20H33N3O8SSi
SMILES
CCO[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/C20H33N3O8SSi/c1-8-28-19-11-32(26,27)31-20(19)13(9-21-19)29-16(14(20)30-33(6,7)18(3,4)5)23-10-12(2)15(24)22-17(23)25/h10,13-14,16,21H,8-9,11H2,1-7H3,(H,22,24,25)/t13?,14-,16+,19+,20+/m0/s1
InChIKey
OMILIPCHFSMVOG-CNMXSHCVSA-N
Compound name
1-[(1R,5S,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-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

503.17575 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.18303 205.1
[M+Na]+ 526.16497 213.5
[M-H]- 502.16847 209.8
[M+NH4]+ 521.20957 218.4
[M+K]+ 542.13891 214.1
[M+H-H2O]+ 486.17301 205.0
[M+HCOO]- 548.17395 209.4
[M+CH3COO]- 562.18960 228.8
[M+Na-2H]- 524.15042 208.7
[M]+ 503.17520 214.6
[M]- 503.17630 214.6
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.