CID 453848

Spirooxathioltbsribo-3allylt

Structural Information

Molecular Formula
C21H33N3O8SSi
SMILES
CC1=CN(C(=O)N(C1=O)CC=C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O
InChI
InChI=1S/C21H33N3O8SSi/c1-8-9-23-17(26)13(2)10-24(19(23)27)18-16(25)21(14(22)12-33(28,29)32-21)15(31-18)11-30-34(6,7)20(3,4)5/h8,10,12,15-16,18,25H,1,9,11,22H2,2-7H3/t15-,16+,18-,21?/m1/s1
InChIKey
ZHXYIKIPNVXVFH-VVTKKKPISA-N
Compound name
1-[(6R,8R,9R)-4-amino-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methyl-3-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

515.1758 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.18308 210.5
[M+Na]+ 538.16502 219.6
[M-H]- 514.16852 217.5
[M+NH4]+ 533.20962 220.2
[M+K]+ 554.13896 218.9
[M+H-H2O]+ 498.17306 208.0
[M+HCOO]- 560.17400 219.5
[M+CH3COO]- 574.18965 238.7
[M+Na-2H]- 536.15047 212.1
[M]+ 515.17525 220.1
[M]- 515.17635 220.1
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.