CID 488478

Chembl3142820

Structural Information

Molecular Formula
C31H50N2O8Si2
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)OCC2=CC=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C31H50N2O8Si2/c1-21-17-33(29(37)32(27(21)36)18-24(34)38-19-22-15-13-12-14-16-22)28-26(41-43(10,11)31(5,6)7)25(35)23(40-28)20-39-42(8,9)30(2,3)4/h12-17,23,25-26,28,35H,18-20H2,1-11H3/t23-,25-,26-,28-/m1/s1
InChIKey
GJLXPBUYTOEBFF-GTVIQNQPSA-N
Compound name
benzyl 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]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

634.31055 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.31783 246.7
[M+Na]+ 657.29977 249.6
[M-H]- 633.30327 253.1
[M+NH4]+ 652.34437 246.8
[M+K]+ 673.27371 250.1
[M+H-H2O]+ 617.30781 238.6
[M+HCOO]- 679.30875 253.0
[M+CH3COO]- 693.32440 262.1
[M+Na-2H]- 655.28522 245.7
[M]+ 634.31000 256.3
[M]- 634.31110 256.3
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.