CID 13497961

4'-hydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,4-biphenylquinone

Structural Information

Molecular Formula
C20H24O3
SMILES
CC1=CC(=C(C=C1C2=C(C(=O)C(=O)C(=C2)C(C)C)C)C(C)C)O
InChI
InChI=1S/C20H24O3/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/h7-11,21H,1-6H3
InChIKey
SFQOHOOISXSOPJ-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

312.17255 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.179826 171.0
[M+Na]+ 335.161768 179.8
[M-H]- 311.165274 177.4
[M+NH4]+ 330.206373 186.2
[M+K]+ 351.135708 176.1
[M+H-H2O]+ 295.169810 164.5
[M+HCOO]- 357.170751 189.4
[M+CH3COO]- 371.186401 212.8
[M+Na-2H]- 333.147216 167.6
[M]+ 312.17200142 173.5
[M]- 312.17309858 173.5
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

patents stripe