CID 3070158

Brn 5702370

Structural Information

Molecular Formula
C39H44O9Si
SMILES
CCOC(=O)C(C1=CC=CC=C1C)O[Si](C2=CC=CC=C2)(OC(C3=CC=CC=C3C)C(=O)OCC)OC(C4=CC=CC=C4C)C(=O)OCC
InChI
InChI=1S/C39H44O9Si/c1-7-43-37(40)34(31-24-16-13-19-27(31)4)46-49(30-22-11-10-12-23-30,47-35(38(41)44-8-2)32-25-17-14-20-28(32)5)48-36(39(42)45-9-3)33-26-18-15-21-29(33)6/h10-26,34-36H,7-9H2,1-6H3
InChIKey
FQASYTRVFLQDEH-UHFFFAOYSA-N
Compound name
ethyl 2-[bis[2-ethoxy-1-(2-methylphenyl)-2-oxoethoxy]-phenylsilyl]oxy-2-(2-methylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

684.27545 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 685.28273 258.2
[M+Na]+ 707.26467 268.4
[M+NH4]+ 702.30927 259.6
[M+K]+ 723.23861 263.8
[M-H]- 683.26817 262.3
[M+Na-2H]- 705.25012 265.0
[M]+ 684.27490 260.7
[M]- 684.27600 260.7
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.