CID 13652270

36395-57-0

Structural Information

Molecular Formula
C28H34O2
SMILES
CC1=CC(=CC(=C1O)C)C(C)(C)C2=CC=C(C=C2)C(C)(C)C3=CC(=C(C(=C3)C)O)C
InChI
InChI=1S/C28H34O2/c1-17-13-23(14-18(2)25(17)29)27(5,6)21-9-11-22(12-10-21)28(7,8)24-15-19(3)26(30)20(4)16-24/h9-16,29-30H,1-8H3
InChIKey
SIDYFHJPUCRHJY-UHFFFAOYSA-N
Compound name
4-[2-[4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

906
Patents

402.2559 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.26318 206.1
[M+Na]+ 425.24512 221.9
[M+NH4]+ 420.28972 213.3
[M+K]+ 441.21906 213.9
[M-H]- 401.24862 211.9
[M+Na-2H]- 423.23057 214.5
[M]+ 402.25535 210.5
[M]- 402.25645 210.5
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