CID 215325

35455-61-9

Structural Information

Molecular Formula
C29H44O4
SMILES
CC(C)(C)C1=CC(=C(C(=C1O)CC2=C(C(=CC(=C2O)C(C)(C)C)C(C)(C)C)O)O)C(C)(C)C
InChI
InChI=1S/C29H44O4/c1-26(2,3)18-14-19(27(4,5)6)23(31)16(22(18)30)13-17-24(32)20(28(7,8)9)15-21(25(17)33)29(10,11)12/h14-15,30-33H,13H2,1-12H3
InChIKey
BDENIXXGMSURKB-UHFFFAOYSA-N
Compound name
4,6-ditert-butyl-2-[(3,5-ditert-butyl-2,6-dihydroxyphenyl)methyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

456.32397 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.33125 212.2
[M+Na]+ 479.31319 218.6
[M-H]- 455.31669 214.6
[M+NH4]+ 474.35779 220.4
[M+K]+ 495.28713 215.1
[M+H-H2O]+ 439.32123 207.1
[M+HCOO]- 501.32217 219.7
[M+CH3COO]- 515.33782 235.2
[M+Na-2H]- 477.29864 211.1
[M]+ 456.32342 215.8
[M]- 456.32452 215.8
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