CID 53425980

1,3-dioxane, 4,4-dimethyl-2,6-diphenyl-

Structural Information

Molecular Formula
C18H20O2
SMILES
CC1(CC(OC(O1)C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C18H20O2/c1-18(2)13-16(14-9-5-3-6-10-14)19-17(20-18)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3
InChIKey
YWZRCNNFDDESHR-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2,6-diphenyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

268.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.153606 163.4
[M+Na]+ 291.135548 169.8
[M-H]- 267.139054 174.1
[M+NH4]+ 286.180153 178.7
[M+K]+ 307.109488 168.5
[M+H-H2O]+ 251.143590 155.0
[M+HCOO]- 313.144531 182.1
[M+CH3COO]- 327.160181 175.4
[M+Na-2H]- 289.120996 169.7
[M]+ 268.14578142 162.1
[M]- 268.14687858 162.1
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