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 178.3
[M+Na]+ 353.17232 186.8
[M-H]- 329.17582 181.2
[M+NH4]+ 348.21692 190.9
[M+K]+ 369.14626 182.6
[M+H-H2O]+ 313.18036 172.3
[M+HCOO]- 375.18130 193.2
[M+CH3COO]- 389.19695 210.8
[M+Na-2H]- 351.15777 173.4
[M]+ 330.18255 180.0
[M]- 330.18365 180.0
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.