CID 488492

Chembl3142811

Structural Information

Molecular Formula
C31H50N2O7Si2
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)OCC2=CC=CC=C2)[C@H]3C[C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C31H50N2O7Si2/c1-22-18-32(29(36)33(28(22)35)19-27(34)37-20-23-15-13-12-14-16-23)26-17-24(40-42(10,11)31(5,6)7)25(39-26)21-38-41(8,9)30(2,3)4/h12-16,18,24-26H,17,19-21H2,1-11H3/t24-,25+,26+/m0/s1
InChIKey
XJGABQAQKYATOA-JIMJEQGWSA-N
Compound name
benzyl 2-[3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

618.3157 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.32298 244.7
[M+Na]+ 641.30492 247.7
[M-H]- 617.30842 252.1
[M+NH4]+ 636.34952 246.0
[M+K]+ 657.27886 247.7
[M+H-H2O]+ 601.31296 236.0
[M+HCOO]- 663.31390 252.4
[M+CH3COO]- 677.32955 260.5
[M+Na-2H]- 639.29037 244.0
[M]+ 618.31515 254.3
[M]- 618.31625 254.3
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.