CID 483571

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

Structural Information

Molecular Formula
C17H27N3O8SSi
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O
InChI
InChI=1S/C17H27N3O8SSi/c1-9-7-20(15(23)19-12(9)22)13-11(21)17(10(18)8-29(24,25)28-17)14(26-13)27-30(5,6)16(2,3)4/h7-8,11,13-14,21H,18H2,1-6H3,(H,19,22,23)/t11-,13+,14+,17?/m0/s1
InChIKey
CNBVYVFTZUIMMU-PVGXCYLFSA-N
Compound name
1-[(6R,8R,9R)-4-amino-6-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.1288 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.13608 196.3
[M+Na]+ 484.11802 205.8
[M-H]- 460.12152 202.4
[M+NH4]+ 479.16262 207.3
[M+K]+ 500.09196 205.5
[M+H-H2O]+ 444.12606 194.2
[M+HCOO]- 506.12700 205.0
[M+CH3COO]- 520.14265 224.6
[M+Na-2H]- 482.10347 199.6
[M]+ 461.12825 203.3
[M]- 461.12935 203.3
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.