CID 6367165

Brn 5691887

Structural Information

Molecular Formula
C38H35O6Si
SMILES
CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O[Si](C3=CC=CC=C3)OC(C4=CC=CC=C4)(C5=CC=CC=C5)C(=O)OCC
InChI
InChI=1S/C38H35O6Si/c1-3-41-35(39)37(30-20-10-5-11-21-30,31-22-12-6-13-23-31)43-45(34-28-18-9-19-29-34)44-38(36(40)42-4-2,32-24-14-7-15-25-32)33-26-16-8-17-27-33/h5-29H,3-4H2,1-2H3
InChIKey
JTCDKABAANLRLY-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

615.2203 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.22758 248.4
[M+Na]+ 638.20952 245.9
[M-H]- 614.21302 260.2
[M+NH4]+ 633.25412 247.0
[M+K]+ 654.18346 242.6
[M+H-H2O]+ 598.21756 233.6
[M+HCOO]- 660.21850 261.5
[M+CH3COO]- 674.23415 255.2
[M+Na-2H]- 636.19497 249.2
[M]+ 615.21975 249.8
[M]- 615.22085 249.8
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.