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 263.0
[M+Na]+ 707.26467 259.8
[M-H]- 683.26817 272.5
[M+NH4]+ 702.30927 259.8
[M+K]+ 723.23861 260.7
[M+H-H2O]+ 667.27271 249.1
[M+HCOO]- 729.27365 274.6
[M+CH3COO]- 743.28930 272.2
[M+Na-2H]- 705.25012 256.1
[M]+ 684.27490 271.7
[M]- 684.27600 271.7
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.