CID 483579

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

Structural Information

Molecular Formula
C22H39N3O8SSi2
SMILES
CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[C@@H](C12C(=CS(=O)(=O)O2)N)O[Si](C)(C)C(C)(C)C)N3C=CC(=O)NC3=O
InChI
InChI=1S/C22H39N3O8SSi2/c1-20(2,3)35(7,8)31-16-17(25-12-11-15(26)24-19(25)27)30-18(32-36(9,10)21(4,5)6)22(16)14(23)13-34(28,29)33-22/h11-13,16-18H,23H2,1-10H3,(H,24,26,27)/t16-,17+,18+,22?/m0/s1
InChIKey
YRFNUEIZLSDWJE-UBTYJOTCSA-N
Compound name
1-[(6R,8R,9R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

561.19965 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.20693 218.7
[M+Na]+ 584.18887 225.1
[M-H]- 560.19237 224.9
[M+NH4]+ 579.23347 226.7
[M+K]+ 600.16281 226.7
[M+H-H2O]+ 544.19691 216.9
[M+HCOO]- 606.19785 223.9
[M+CH3COO]- 620.21350 242.7
[M+Na-2H]- 582.17432 225.0
[M]+ 561.19910 227.5
[M]- 561.20020 227.5
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.