CID 483583

[[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]-2-oxo-pyrimidin-4-yl]amino] acetate

Structural Information

Molecular Formula
C24H42N4O9SSi2
SMILES
CC(=O)ONC1=NC(=O)N(C=C1)[C@H]2[C@@H](C3([C@H](O2)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H42N4O9SSi2/c1-15(29)34-27-17-12-13-28(21(30)26-17)19-18(35-39(8,9)22(2,3)4)24(16(25)14-38(31,32)37-24)20(33-19)36-40(10,11)23(5,6)7/h12-14,18-20H,25H2,1-11H3,(H,26,27,30)/t18-,19+,20+,24?/m0/s1
InChIKey
DJRCOQVJIAQTSR-SLLHVTCXSA-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]-2-oxopyrimidin-4-yl]amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

618.2211 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.22838 229.7
[M+Na]+ 641.21032 233.8
[M-H]- 617.21382 236.7
[M+NH4]+ 636.25492 235.4
[M+K]+ 657.18426 237.6
[M+H-H2O]+ 601.21836 227.5
[M+HCOO]- 663.21930 235.8
[M+CH3COO]- 677.23495 258.0
[M+Na-2H]- 639.19577 237.0
[M]+ 618.22055 240.8
[M]- 618.22165 240.8
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.