CID 6448575

Brn 5459804

Structural Information

Molecular Formula
C34H50O2
SMILES
C/C=C(/C(=C/C)/C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)\C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C34H50O2/c1-15-23(21-17-25(31(3,4)5)29(35)26(18-21)32(6,7)8)24(16-2)22-19-27(33(9,10)11)30(36)28(20-22)34(12,13)14/h15-20,35-36H,1-14H3/b23-15+,24-16+
InChIKey
ARIGZGWFCWLHSG-DFEHQXHXSA-N
Compound name
2,6-ditert-butyl-4-[(2E,4E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.38107 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.38835 230.8
[M+Na]+ 513.37029 240.7
[M+NH4]+ 508.41489 234.6
[M+K]+ 529.34423 235.9
[M-H]- 489.37379 231.2
[M+Na-2H]- 511.35574 233.2
[M]+ 490.38052 232.6
[M]- 490.38162 232.6
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

No patent data available for this compound.