CID 117014

71113-23-0

Structural Information

Molecular Formula
C49H52O2
SMILES
CC(C)(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(C)(C)C3=CC=CC=C3)O)CC4=C(C(=CC(=C4)C(C)(C)C5=CC=CC=C5)C(C)(C)C6=CC=CC=C6)O
InChI
InChI=1S/C49H52O2/c1-46(2,36-21-13-9-14-22-36)40-30-34(44(50)42(32-40)48(5,6)38-25-17-11-18-26-38)29-35-31-41(47(3,4)37-23-15-10-16-24-37)33-43(45(35)51)49(7,8)39-27-19-12-20-28-39/h9-28,30-33,50-51H,29H2,1-8H3
InChIKey
BDZGHYNUCXZCMQ-UHFFFAOYSA-N
Compound name
2-[[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]methyl]-4,6-bis(2-phenylpropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

672.3967 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.40398 281.4
[M+Na]+ 695.38592 299.0
[M+NH4]+ 690.43052 287.4
[M+K]+ 711.35986 287.3
[M-H]- 671.38942 293.0
[M+Na-2H]- 693.37137 295.2
[M]+ 672.39615 288.2
[M]- 672.39725 288.2
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