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

0
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 178.0
[M+Na]+ 337.17742 191.6
[M+NH4]+ 332.22202 184.7
[M+K]+ 353.15136 186.0
[M-H]- 313.18092 181.0
[M+Na-2H]- 335.16287 182.7
[M]+ 314.18765 180.9
[M]- 314.18875 180.9
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

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