CID 4381659

307531-92-6

Structural Information

Molecular Formula
C28H66O12Si7
SMILES
CC(C)C[Si]1(O[Si]2(O[Si](O[Si]3(O[Si](O[Si](O1)(O[Si](O2)(O3)CC(C)C)CC(C)C)(CC(C)C)O)CC(C)C)(CC(C)C)O)CC(C)C)O
InChI
InChI=1S/C28H66O12Si7/c1-22(2)15-41(29)32-44(18-25(7)8)34-42(30,16-23(3)4)36-46(20-27(11)12)37-43(31,17-24(5)6)35-45(33-41,19-26(9)10)39-47(38-44,40-46)21-28(13)14/h22-31H,15-21H2,1-14H3
InChIKey
APIBTMSFBUJAAC-UHFFFAOYSA-N
Compound name
3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis(2-methylpropyl)-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

84
Patents

790.2939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 791.30118 324.4
[M+Na]+ 813.28312 324.4
[M+NH4]+ 808.32772 324.4
[M+K]+ 829.25706 324.4
[M-H]- 789.28662 324.4
[M+Na-2H]- 811.26857 324.4
[M]+ 790.29335 324.4
[M]- 790.29445 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