CID 468094

(9-amino-3-(3,5-dimethyl-2,4-dioxo(1,3-diazinyl))-2,6-dioxa-7,7-dioxo-4-(1,1,2,2-tetramethyl-1-silapropoxy)-7-thiaspiro[4.4]non-8-enyl)methyl 2-methylpropanoate

Structural Information

Molecular Formula
C23H37N3O9SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)COC(=O)C(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C23H37N3O9SSi/c1-13(2)20(28)32-11-16-23(15(24)12-36(30,31)35-23)17(34-37(8,9)22(4,5)6)19(33-16)26-10-14(3)18(27)25(7)21(26)29/h10,12-13,16-17,19H,11,24H2,1-9H3/t16-,17+,19-,23?/m1/s1
InChIKey
ADLJUPTVOVTZET-RPNIPRFFSA-N
Compound name
[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-6-yl]methyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 217.3
[M+Na]+ 582.19119 224.8
[M-H]- 558.19469 225.4
[M+NH4]+ 577.23579 225.6
[M+K]+ 598.16513 226.9
[M+H-H2O]+ 542.19923 215.2
[M+HCOO]- 604.20017 225.4
[M+CH3COO]- 618.21582 249.8
[M+Na-2H]- 580.17664 217.9
[M]+ 559.20142 229.6
[M]- 559.20252 229.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.