CID 14396469

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

Structural Information

Molecular Formula
C20H26O3
SMILES
CC1=CC(=C(C=C1C2=CC(=C(C(=C2C)O)O)C(C)C)C(C)C)O
InChI
InChI=1S/C20H26O3/c1-10(2)14-8-16(12(5)7-18(14)21)17-9-15(11(3)4)20(23)19(22)13(17)6/h7-11,21-23H,1-6H3
InChIKey
HNHWYZDOESMBLD-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-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

0
References

1
Patents

314.1882 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19548 175.0
[M+Na]+ 337.17742 183.3
[M-H]- 313.18092 178.9
[M+NH4]+ 332.22202 188.8
[M+K]+ 353.15136 179.0
[M+H-H2O]+ 297.18546 168.7
[M+HCOO]- 359.18640 191.3
[M+CH3COO]- 373.20205 209.3
[M+Na-2H]- 335.16287 171.2
[M]+ 314.18765 176.6
[M]- 314.18875 176.6
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

No patent data available for this compound.