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
4
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]+ 415.211496 205.5
[M+Na]+ 437.193438 208.7
[M-H]- 413.196944 214.7
[M+NH4]+ 432.238043 209.5
[M+K]+ 453.167378 209.3
[M+H-H2O]+ 397.201480 195.8
[M+HCOO]- 459.202421 213.4
[M+CH3COO]- 473.218071 212.6
[M+Na-2H]- 435.178886 205.5
[M]+ 414.20367142 205.8
[M]- 414.20476858 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