CID 175111

72672-54-9

Structural Information

Molecular Formula
C29H44O2
SMILES
CCC(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C(C)CC)C(C)(C)C)O
InChI
InChI=1S/C29H44O2/c1-11-18(3)20-13-22(26(30)24(16-20)28(5,6)7)15-23-14-21(19(4)12-2)17-25(27(23)31)29(8,9)10/h13-14,16-19,30-31H,11-12,15H2,1-10H3
InChIKey
PAMOFRNFPOZAHQ-UHFFFAOYSA-N
Compound name
4-butan-2-yl-2-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methyl]-6-tert-butylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

424.33414 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.34142 214.0
[M+Na]+ 447.32336 225.7
[M+NH4]+ 442.36796 219.6
[M+K]+ 463.29730 219.4
[M-H]- 423.32686 216.3
[M+Na-2H]- 445.30881 217.6
[M]+ 424.33359 216.6
[M]- 424.33469 216.6
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