CID 14123349

93705-66-9

Structural Information

Molecular Formula
C23H28O4
SMILES
CC1=CC(=CC(=C1OCC2CO2)C)CC3=CC(=C(C(=C3)C)OCC4CO4)C
InChI
InChI=1S/C23H28O4/c1-14-5-18(6-15(2)22(14)26-12-20-10-24-20)9-19-7-16(3)23(17(4)8-19)27-13-21-11-25-21/h5-8,20-21H,9-13H2,1-4H3
InChIKey
DYCOQZIBHVOFLQ-UHFFFAOYSA-N
Compound name
2-[[4-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]-2,6-dimethylphenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

368.19876 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20604 163.5
[M+Na]+ 391.18798 179.5
[M+NH4]+ 386.23258 171.6
[M+K]+ 407.16192 176.6
[M-H]- 367.19148 183.4
[M+Na-2H]- 389.17343 175.9
[M]+ 368.19821 173.7
[M]- 368.19931 173.7
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