CID 44154118

93803-64-6

Structural Information

Molecular Formula
C29H40O2
SMILES
CC(C)(C)C1=C2CCCCC2=CC(=C1O)CC3=C(C(=C4CCCCC4=C3)C(C)(C)C)O
InChI
InChI=1S/C29H40O2/c1-28(2,3)24-22-13-9-7-11-18(22)15-20(26(24)30)17-21-16-19-12-8-10-14-23(19)25(27(21)31)29(4,5)6/h15-16,30-31H,7-14,17H2,1-6H3
InChIKey
OADXKVRWSMWMFN-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-[(4-tert-butyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.30283 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.31011 209.6
[M+Na]+ 443.29205 213.2
[M-H]- 419.29555 213.7
[M+NH4]+ 438.33665 220.9
[M+K]+ 459.26599 206.9
[M+H-H2O]+ 403.30009 201.7
[M+HCOO]- 465.30103 216.2
[M+CH3COO]- 479.31668 229.8
[M+Na-2H]- 441.27750 208.8
[M]+ 420.30228 205.7
[M]- 420.30338 205.7
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.