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 267.4
[M+Na]+ 755.24942 262.9
[M-H]- 731.25292 276.8
[M+NH4]+ 750.29402 261.7
[M+K]+ 771.22336 267.1
[M+H-H2O]+ 715.25746 252.8
[M+HCOO]- 777.25840 279.3
[M+CH3COO]- 791.27405 278.0
[M+Na-2H]- 753.23487 261.9
[M]+ 732.25965 279.9
[M]- 732.26075 279.9
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.