CID 3038127

223719-29-7

Structural Information

Molecular Formula
C28H52O6
SMILES
CC(C)(C)C1CCC2C(C1)OCCOCCOC3CCC(CC3OCCOCCO2)C(C)(C)C
InChI
InChI=1S/C28H52O6/c1-27(2,3)21-7-9-23-25(19-21)33-17-13-29-12-16-32-24-10-8-22(28(4,5)6)20-26(24)34-18-14-30-11-15-31-23/h21-26H,7-20H2,1-6H3
InChIKey
QQCYFUYEXBIXFJ-UHFFFAOYSA-N
Compound name
11,24-ditert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

15
Patents

484.3764 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.38368 214.1
[M+Na]+ 507.36562 220.0
[M+NH4]+ 502.41022 218.4
[M+K]+ 523.33956 217.6
[M-H]- 483.36912 223.5
[M+Na-2H]- 505.35107 210.8
[M]+ 484.37585 217.3
[M]- 484.37695 217.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe