CID 9866479

2,6-bis(4-ethylphenyl)perhydro-1,3,5,7-tetraoxanaphth-4-ylethane-1,2-diol

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

141
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 205.5
[M+Na]+ 437.19344 208.7
[M-H]- 413.19694 214.7
[M+NH4]+ 432.23804 209.5
[M+K]+ 453.16738 209.3
[M+H-H2O]+ 397.20148 195.8
[M+HCOO]- 459.20242 213.4
[M+CH3COO]- 473.21807 212.6
[M+Na-2H]- 435.17889 205.5
[M]+ 414.20367 205.8
[M]- 414.20477 205.8
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