CID 3070161

Brn 5706917

Structural Information

Molecular Formula
C39H44O12Si
SMILES
CCOC(=O)C(C1=CC=CC=C1OC)O[Si](C2=CC=CC=C2)(OC(C3=CC=CC=C3OC)C(=O)OCC)OC(C4=CC=CC=C4OC)C(=O)OCC
InChI
InChI=1S/C39H44O12Si/c1-7-46-37(40)34(28-21-13-16-24-31(28)43-4)49-52(27-19-11-10-12-20-27,50-35(38(41)47-8-2)29-22-14-17-25-32(29)44-5)51-36(39(42)48-9-3)30-23-15-18-26-33(30)45-6/h10-26,34-36H,7-9H2,1-6H3
InChIKey
PERGYFARESGNIE-UHFFFAOYSA-N
Compound name
ethyl 2-[bis[2-ethoxy-1-(2-methoxyphenyl)-2-oxoethoxy]-phenylsilyl]oxy-2-(2-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

732.2602 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.26748 262.6
[M+Na]+ 755.24942 271.1
[M+NH4]+ 750.29402 262.2
[M+K]+ 771.22336 268.5
[M-H]- 731.25292 265.3
[M+Na-2H]- 753.23487 268.4
[M]+ 732.25965 264.2
[M]- 732.26075 264.2
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.