CID 19972045

4-oh

Structural Information

Molecular Formula
C25H28O4
SMILES
CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=C(C=C3)O
InChI
InChI=1S/C25H28O4/c1-4-28-22-12-8-20(9-13-22)25(2,3)18-27-17-19-6-5-7-24(16-19)29-23-14-10-21(26)11-15-23/h5-16,26H,4,17-18H2,1-3H3
InChIKey
JQAKDUCEDLOCLP-UHFFFAOYSA-N
Compound name
4-[3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenoxy]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

392.19876 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 198.5
[M+Na]+ 415.18798 213.5
[M+NH4]+ 410.23258 205.7
[M+K]+ 431.16192 204.8
[M-H]- 391.19148 204.3
[M+Na-2H]- 413.17343 208.3
[M]+ 392.19821 202.6
[M]- 392.19931 202.6
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