CID 6453154

55252-55-6

Structural Information

Molecular Formula
C33H48O2
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C2CCCCC2)O)CC3=C(C(=CC(=C3)C(C)(C)C)C4CCCCC4)O
InChI
InChI=1S/C33H48O2/c1-32(2,3)26-18-24(30(34)28(20-26)22-13-9-7-10-14-22)17-25-19-27(33(4,5)6)21-29(31(25)35)23-15-11-8-12-16-23/h18-23,34-35H,7-17H2,1-6H3
InChIKey
YUPWBJDKWZQHOU-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-[(5-tert-butyl-3-cyclohexyl-2-hydroxyphenyl)methyl]-6-cyclohexylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

476.36542 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.37270 223.3
[M+Na]+ 499.35464 223.2
[M-H]- 475.35814 230.8
[M+NH4]+ 494.39924 229.5
[M+K]+ 515.32858 216.8
[M+H-H2O]+ 459.36268 213.4
[M+HCOO]- 521.36362 229.1
[M+CH3COO]- 535.37927 238.7
[M+Na-2H]- 497.34009 217.4
[M]+ 476.36487 215.4
[M]- 476.36597 215.4
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.