CID 5059104

2,5-dimethoxy-2,5-diphenyl-1,4-dioxane

Structural Information

Molecular Formula
C18H20O4
SMILES
COC1(COC(CO1)(C2=CC=CC=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C18H20O4/c1-19-17(15-9-5-3-6-10-15)13-22-18(20-2,14-21-17)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKey
WWQNOCASWXDJGK-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-2,5-diphenyl-1,4-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.13617 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 169.6
[M+Na]+ 323.12539 175.8
[M-H]- 299.12889 180.3
[M+NH4]+ 318.16999 185.1
[M+K]+ 339.09933 176.2
[M+H-H2O]+ 283.13343 160.9
[M+HCOO]- 345.13437 188.7
[M+CH3COO]- 359.15002 181.3
[M+Na-2H]- 321.11084 177.8
[M]+ 300.13562 171.2
[M]- 300.13672 171.2
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