CID 642531

3,3',4,4'-tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl

Structural Information

Molecular Formula
C20H26O4
SMILES
CC1=C(C(=C(C=C1C2=CC(=C(C(=C2C)O)O)C(C)C)C(C)C)O)O
InChI
InChI=1S/C20H26O4/c1-9(2)13-7-15(11(5)17(21)19(13)23)16-8-14(10(3)4)20(24)18(22)12(16)6/h7-10,21-24H,1-6H3
InChIKey
BUKCOURGDZTOBF-UHFFFAOYSA-N
Compound name
4-(3,4-dihydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.1831 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19038 181.8
[M+Na]+ 353.17232 194.7
[M+NH4]+ 348.21692 187.4
[M+K]+ 369.14626 190.0
[M-H]- 329.17582 183.7
[M+Na-2H]- 351.15777 185.1
[M]+ 330.18255 184.1
[M]- 330.18365 184.1
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

No patent data available for this compound.