CID 23471214

93840-42-7

Structural Information

Molecular Formula
C31H44O2
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C2CCCC2)O)CC3=C(C(=CC(=C3)C(C)(C)C)C4CCCC4)O
InChI
InChI=1S/C31H44O2/c1-30(2,3)24-16-22(28(32)26(18-24)20-11-7-8-12-20)15-23-17-25(31(4,5)6)19-27(29(23)33)21-13-9-10-14-21/h16-21,32-33H,7-15H2,1-6H3
InChIKey
YEUQGFPNRFVXOE-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-[(5-tert-butyl-3-cyclopentyl-2-hydroxyphenyl)methyl]-6-cyclopentylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

448.33414 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.34142 215.5
[M+Na]+ 471.32336 218.0
[M-H]- 447.32686 225.1
[M+NH4]+ 466.36796 227.1
[M+K]+ 487.29730 211.8
[M+H-H2O]+ 431.33140 208.9
[M+HCOO]- 493.33234 226.7
[M+CH3COO]- 507.34799 231.5
[M+Na-2H]- 469.30881 207.9
[M]+ 448.33359 211.8
[M]- 448.33469 211.8
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

patents stripe