CID 101889284

Dtxsid101015506

Structural Information

Molecular Formula
C56H122O12Si7
SMILES
CC(CC(C)(C)C)C[Si]1(O[Si]2(O[Si](O[Si]3(O[Si](O[Si](O1)(O[Si](O2)(O3)CC(C)CC(C)(C)C)CC(C)CC(C)(C)C)(CC(C)CC(C)(C)C)O)CC(C)CC(C)(C)C)(CC(C)CC(C)(C)C)O)CC(C)CC(C)(C)C)O
InChI
InChI=1S/C56H122O12Si7/c1-43(29-50(8,9)10)36-69(57)60-72(39-46(4)32-53(17,18)19)62-70(58,37-44(2)30-51(11,12)13)64-74(41-48(6)34-55(23,24)25)65-71(59,38-45(3)31-52(14,15)16)63-73(61-69,40-47(5)33-54(20,21)22)67-75(66-72,68-74)42-49(7)35-56(26,27)28/h43-49,57-59H,29-42H2,1-28H3
InChIKey
RGWKKUFOURAHNU-UHFFFAOYSA-N
Compound name
3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis(2,4,4-trimethylpentyl)-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

0
Patents

1182.732 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1183.7393 324.4
[M+Na]+ 1205.7212 324.4
[M+NH4]+ 1200.7658 324.4
[M+K]+ 1221.6952 324.4
[M-H]- 1181.7247 324.4
[M+Na-2H]- 1203.7067 324.4
[M]+ 1182.7315 324.4
[M]- 1182.7325 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

No patent data available for this compound.