CID 496794

Nsc699333

Structural Information

Molecular Formula
C26H52N3O9PSi2
SMILES
CCOP(=O)(C([C@H]1[C@@H]([C@@H]([C@H](O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N(C)O)OCC
InChI
InChI=1S/C26H52N3O9PSi2/c1-14-34-39(33,35-15-2)23(28(9)32)21-19(37-40(10,11)25(3,4)5)20(38-41(12,13)26(6,7)8)22(36-21)29-17-16-18(30)27-24(29)31/h16-17,19-23,32H,14-15H2,1-13H3,(H,27,30,31)/t19-,20+,21-,22+,23?/m1/s1
InChIKey
GVMMZICIWHTCDA-QAROPEJJSA-N
Compound name
1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[diethoxyphosphoryl-[hydroxy(methyl)amino]methyl]oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

637.298 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.30528 219.6
[M+Na]+ 660.28722 231.8
[M-H]- 636.29072 231.0
[M+NH4]+ 655.33182 234.7
[M+K]+ 676.26116 227.0
[M+H-H2O]+ 620.29526 210.5
[M+HCOO]- 682.29620 245.2
[M+CH3COO]- 696.31185 264.8
[M+Na-2H]- 658.27267 208.4
[M]+ 637.29745 226.3
[M]- 637.29855 226.3
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.