CID 16074573

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

Structural Information

Molecular Formula
C19H31N3O8SSi
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]34C(O2)CN[C@]3(CS(=O)(=O)O4)OC)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C19H31N3O8SSi/c1-11-9-22(16(24)21-14(11)23)15-13(29-32(6,7)17(2,3)4)19-12(28-15)8-20-18(19,27-5)10-31(25,26)30-19/h9,12-13,15,20H,8,10H2,1-7H3,(H,21,23,24)/t12?,13-,15+,18+,19+/m0/s1
InChIKey
VTYVDYOJTNPWSY-XJJSFKLGSA-N
Compound name
1-[(1R,5S,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-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

489.16013 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.16741 201.2
[M+Na]+ 512.14935 210.1
[M-H]- 488.15285 206.1
[M+NH4]+ 507.19395 215.1
[M+K]+ 528.12329 210.8
[M+H-H2O]+ 472.15739 201.2
[M+HCOO]- 534.15833 205.8
[M+CH3COO]- 548.17398 226.0
[M+Na-2H]- 510.13480 205.1
[M]+ 489.15958 210.4
[M]- 489.16068 210.4
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.