CID 118597

34074-95-8

Structural Information

Molecular Formula
C28H34O2
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C2=CC=C(C=C2)C(C)(C)C3=CC(=CC(=C3O)C)C)O)C
InChI
InChI=1S/C28H34O2/c1-17-13-19(3)25(29)23(15-17)27(5,6)21-9-11-22(12-10-21)28(7,8)24-16-18(2)14-20(4)26(24)30/h9-16,29-30H,1-8H3
InChIKey
SXSQTVIVGPPWKI-UHFFFAOYSA-N
Compound name
2-[2-[4-[2-(2-hydroxy-3,5-dimethylphenyl)propan-2-yl]phenyl]propan-2-yl]-4,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 201.3
[M+Na]+ 425.24512 209.0
[M-H]- 401.24862 209.2
[M+NH4]+ 420.28972 211.9
[M+K]+ 441.21906 203.1
[M+H-H2O]+ 385.25316 193.2
[M+HCOO]- 447.25410 216.2
[M+CH3COO]- 461.26975 228.3
[M+Na-2H]- 423.23057 200.6
[M]+ 402.25535 203.6
[M]- 402.25645 203.6
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