CID 3070156

Brn 5702430

Structural Information

Molecular Formula
C42H50O9Si
SMILES
CCOC(=O)CCC(C1=CC=CC=C1)O[Si](C2=CC=CC=C2)(OC(CCC(=O)OCC)C3=CC=CC=C3)OC(CCC(=O)OCC)C4=CC=CC=C4
InChI
InChI=1S/C42H50O9Si/c1-4-46-40(43)30-27-37(33-19-11-7-12-20-33)49-52(36-25-17-10-18-26-36,50-38(28-31-41(44)47-5-2)34-21-13-8-14-22-34)51-39(29-32-42(45)48-6-3)35-23-15-9-16-24-35/h7-26,37-39H,4-6,27-32H2,1-3H3
InChIKey
KMVHBXIHXAWJPY-UHFFFAOYSA-N
Compound name
ethyl 4-[bis(4-ethoxy-4-oxo-1-phenylbutoxy)-phenylsilyl]oxy-4-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

726.3224 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 727.32968 270.9
[M+Na]+ 749.31162 279.3
[M+NH4]+ 744.35622 271.7
[M+K]+ 765.28556 273.5
[M-H]- 725.31512 274.6
[M+Na-2H]- 747.29707 277.5
[M]+ 726.32185 272.9
[M]- 726.32295 272.9
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.