CID 488482

Chembl3142813

Structural Information

Molecular Formula
C24H44N2O8Si2
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H44N2O8Si2/c1-15-12-26(22(31)25(20(15)30)13-17(27)28)21-19(34-36(10,11)24(5,6)7)18(29)16(33-21)14-32-35(8,9)23(2,3)4/h12,16,18-19,21,29H,13-14H2,1-11H3,(H,27,28)/t16-,18-,19-,21-/m1/s1
InChIKey
CPDZFNQNOYQHDH-XLBJILASSA-N
Compound name
2-[3-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

544.2636 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.27088 221.8
[M+Na]+ 567.25282 226.4
[M-H]- 543.25632 224.3
[M+NH4]+ 562.29742 225.6
[M+K]+ 583.22676 227.2
[M+H-H2O]+ 527.26086 216.4
[M+HCOO]- 589.26180 227.9
[M+CH3COO]- 603.27745 244.7
[M+Na-2H]- 565.23827 221.8
[M]+ 544.26305 230.1
[M]- 544.26415 230.1
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.