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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.195476	175.0
[M+Na]+	337.177418	183.3
[M-H]-	313.180924	178.9
[M+NH4]+	332.222023	188.8
[M+K]+	353.151358	179.0
[M+H-H2O]+	297.185460	168.7
[M+HCOO]-	359.186401	191.3
[M+CH3COO]-	373.202051	209.3
[M+Na-2H]-	335.162866	171.2
[M]+	314.18765142	176.6
[M]-	314.18874858	176.6

Literature stripe

literature stripe

Patent stripe

patents stripe