CID 488480

Chembl3142814

Structural Information

Molecular Formula
C37H64N2O8Si3
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[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C37H64N2O8Si3/c1-26-22-39(34(42)38(32(26)41)23-29(40)43-24-27-20-18-17-19-21-27)33-31(47-50(15,16)37(8,9)10)30(46-49(13,14)36(5,6)7)28(45-33)25-44-48(11,12)35(2,3)4/h17-22,28,30-31,33H,23-25H2,1-16H3/t28-,30-,31-,33-/m1/s1
InChIKey
SEBXXWGNVSZTGZ-CSEBVFCESA-N
Compound name
benzyl 2-[3-[(2R,3R,4R,5R)-3,4-bis[[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

748.39703 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.40431 266.8
[M+Na]+ 771.38625 267.4
[M-H]- 747.38975 273.7
[M+NH4]+ 766.43085 252.0
[M+K]+ 787.36019 269.7
[M+H-H2O]+ 731.39429 259.1
[M+HCOO]- 793.39523 267.6
[M+CH3COO]- 807.41088 282.9
[M+Na-2H]- 769.37170 268.4
[M]+ 748.39648 278.9
[M]- 748.39758 278.9
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.