CID 83649

13676-82-9

Structural Information

Molecular Formula
C31H48O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C31H48O2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)31(13,14)20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3
InChIKey
QHPKIUDQDCWRKO-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11176
Patents

452.36542 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.37270 221.5
[M+Na]+ 475.35464 232.1
[M+NH4]+ 470.39924 226.2
[M+K]+ 491.32858 227.7
[M-H]- 451.35814 222.2
[M+Na-2H]- 473.34009 225.3
[M]+ 452.36487 223.8
[M]- 452.36597 223.8
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