CID 3020609

85305-20-0

Structural Information

Molecular Formula
C33H36O
SMILES
CC1=CC=CC=C1C(C)C2=CC(=C(C(=C2)C(C)C3=CC=CC=C3C)O)C(C)C4=CC=CC=C4C
InChI
InChI=1S/C33H36O/c1-21-13-7-10-16-28(21)24(4)27-19-31(25(5)29-17-11-8-14-22(29)2)33(34)32(20-27)26(6)30-18-12-9-15-23(30)3/h7-20,24-26,34H,1-6H3
InChIKey
ZTULFNZHLNQJQG-UHFFFAOYSA-N
Compound name
2,4,6-tris[1-(2-methylphenyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.2766 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.28388 216.0
[M+Na]+ 471.26582 220.4
[M-H]- 447.26932 226.7
[M+NH4]+ 466.31042 223.7
[M+K]+ 487.23976 213.3
[M+H-H2O]+ 431.27386 204.8
[M+HCOO]- 493.27480 231.6
[M+CH3COO]- 507.29045 239.2
[M+Na-2H]- 469.25127 210.3
[M]+ 448.27605 215.9
[M]- 448.27715 215.9
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

No patent data available for this compound.