CID 169043

Dtxsid5067477

Structural Information

Molecular Formula
C28H40O6
SMILES
CC(C)(C)C1=CC2=C(C=C1)OCCOCCOC3=C(C=CC(=C3)C(C)(C)C)OCCOCCO2
InChI
InChI=1S/C28H40O6/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/h7-10,19-20H,11-18H2,1-6H3
InChIKey
ODEWVZWKIFSVMI-UHFFFAOYSA-N
Compound name
11,24-ditert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

28
Patents

472.2825 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.28978 213.6
[M+Na]+ 495.27172 216.6
[M-H]- 471.27522 220.8
[M+NH4]+ 490.31632 212.6
[M+K]+ 511.24566 221.8
[M+H-H2O]+ 455.27976 211.3
[M+HCOO]- 517.28070 217.0
[M+CH3COO]- 531.29635 228.4
[M+Na-2H]- 493.25717 218.3
[M]+ 472.28195 212.5
[M]- 472.28305 212.5
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.