CID 170838

50378-93-3

Structural Information

Molecular Formula
C33H52O2
SMILES
CCC(C)(C)C1=CC(=C(C(=C1)C(C)(C)CC)O)CC2=C(C(=CC(=C2)C(C)(C)CC)C(C)(C)CC)O
InChI
InChI=1S/C33H52O2/c1-13-30(5,6)24-18-22(28(34)26(20-24)32(9,10)15-3)17-23-19-25(31(7,8)14-2)21-27(29(23)35)33(11,12)16-4/h18-21,34-35H,13-17H2,1-12H3
InChIKey
DYVLACUMXYHTTN-UHFFFAOYSA-N
Compound name
2-[[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

480.39673 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.40401 230.7
[M+Na]+ 503.38595 241.3
[M+NH4]+ 498.43055 235.3
[M+K]+ 519.35989 235.1
[M-H]- 479.38945 232.0
[M+Na-2H]- 501.37140 234.0
[M]+ 480.39618 233.0
[M]- 480.39728 233.0
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