CID 16074576

1-[[tert-butyl(dimethyl)silyl]oxy-ethoxy-dioxo-[?]yl]-3,5-dimethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C21H35N3O8SSi
SMILES
CCO[C@]12CS(=O)(=O)O[C@]13[C@H]([C@@H](OC3CN2)N4C=C(C(=O)N(C4=O)C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C21H35N3O8SSi/c1-9-29-20-12-33(27,28)32-21(20)14(10-22-20)30-17(15(21)31-34(7,8)19(3,4)5)24-11-13(2)16(25)23(6)18(24)26/h11,14-15,17,22H,9-10,12H2,1-8H3/t14?,15-,17+,20+,21+/m0/s1
InChIKey
RAFMAMUWUHNCIQ-KCBIGPTMSA-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]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

517.1914 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.19868 207.1
[M+Na]+ 540.18062 216.3
[M-H]- 516.18412 213.3
[M+NH4]+ 535.22522 220.8
[M+K]+ 556.15456 217.5
[M+H-H2O]+ 500.18866 207.1
[M+HCOO]- 562.18960 212.6
[M+CH3COO]- 576.20525 234.9
[M+Na-2H]- 538.16607 210.3
[M]+ 517.19085 219.0
[M]- 517.19195 219.0
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.