CID 23579059

444315-26-8

Structural Information

Molecular Formula
C42H38O12Si7
SMILES
C1=CC=C(C=C1)[Si]2(O[Si]3(O[Si](O[Si]4(O[Si](O[Si](O2)(O[Si](O3)(O4)C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)O)C8=CC=CC=C8)(C9=CC=CC=C9)O)C1=CC=CC=C1)O
InChI
InChI=1S/C42H38O12Si7/c43-55(36-22-8-1-9-23-36)46-58(39-28-14-4-15-29-39)48-56(44,37-24-10-2-11-25-37)50-60(41-32-18-6-19-33-41)51-57(45,38-26-12-3-13-27-38)49-59(47-55,40-30-16-5-17-31-40)53-61(52-58,54-60)42-34-20-7-21-35-42/h1-35,43-45H
InChIKey
UDRGDXJRPXCVOA-UHFFFAOYSA-N
Compound name
3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis-phenyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

930.0748 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 931.08208 324.4
[M+Na]+ 953.06402 324.4
[M+NH4]+ 948.10862 324.4
[M+K]+ 969.03796 324.4
[M-H]- 929.06752 324.4
[M+Na-2H]- 951.04947 324.4
[M]+ 930.07425 324.4
[M]- 930.07535 324.4
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

patents stripe