CID 9866479

79072-96-1

Structural Information

Molecular Formula
C24H30O6
SMILES
CCC1=CC=C(C=C1)C2OCC3C(O2)C(OC(O3)C4=CC=C(C=C4)CC)C(CO)O
InChI
InChI=1S/C24H30O6/c1-3-15-5-9-17(10-6-15)23-27-14-20-22(30-23)21(19(26)13-25)29-24(28-20)18-11-7-16(4-2)8-12-18/h5-12,19-26H,3-4,13-14H2,1-2H3
InChIKey
RPMMDFYGVMKCJU-UHFFFAOYSA-N
Compound name
1-[2,6-bis(4-ethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

131
Patents

414.20422 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21150 202.4
[M+Na]+ 437.19344 215.4
[M+NH4]+ 432.23804 208.6
[M+K]+ 453.16738 210.0
[M-H]- 413.19694 212.6
[M+Na-2H]- 435.17889 204.9
[M]+ 414.20367 207.2
[M]- 414.20477 207.2
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