CID 454466

141684-44-8

Structural Information

Molecular Formula
C24H43N3O8SSi2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]([C@H](O2)CO[Si](C)(C)C(C)(C)C)(C#N)OS(=O)(=O)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H43N3O8SSi2/c1-16-13-27(21(29)26-19(16)28)20-18(34-38(11,12)23(5,6)7)24(15-25,35-36(8,30)31)17(33-20)14-32-37(9,10)22(2,3)4/h13,17-18,20H,14H2,1-12H3,(H,26,28,29)/t17-,18+,20-,24-/m1/s1
InChIKey
NSVJFTGUTFJYAS-DSPLJNTKSA-N
Compound name
[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-cyano-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

589.23096 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.23824 235.3
[M+Na]+ 612.22018 241.1
[M-H]- 588.22368 237.7
[M+NH4]+ 607.26478 239.1
[M+K]+ 628.19412 242.2
[M+H-H2O]+ 572.22822 224.0
[M+HCOO]- 634.22916 236.0
[M+CH3COO]- 648.24481 253.1
[M+Na-2H]- 610.20563 238.4
[M]+ 589.23041 239.7
[M]- 589.23151 239.7
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.