CID 461136

[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-1-yl]methyl 2,2-dimethylpropanoate

Structural Information

Molecular Formula
C23H37N3O9SSi
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)COC(=O)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C23H37N3O9SSi/c1-13-10-26(20(29)25-17(13)27)18-16(34-37(8,9)22(5,6)7)23(14(24)12-36(30,31)35-23)15(33-18)11-32-19(28)21(2,3)4/h10,12,15-16,18H,11,24H2,1-9H3,(H,25,27,29)/t15-,16+,18-,23?/m1/s1
InChIKey
SKYVEZIOVQUPOT-IPSMIJQESA-N
Compound name
[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-6-yl]methyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

559.20197 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.20925 218.8
[M+Na]+ 582.19119 225.5
[M-H]- 558.19469 225.3
[M+NH4]+ 577.23579 226.3
[M+K]+ 598.16513 227.1
[M+H-H2O]+ 542.19923 217.1
[M+HCOO]- 604.20017 224.9
[M+CH3COO]- 618.21582 245.5
[M+Na-2H]- 580.17664 222.4
[M]+ 559.20142 228.7
[M]- 559.20252 228.7
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.