CID 71436346

Einecs 246-319-0

Structural Information

Molecular Formula
C54H78O4
SMILES
CC1=C(C(=C(C(=C1CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)OC)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C)CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C54H78O4/c1-31-36(22-33-25-39(49(3,4)5)45(55)40(26-33)50(6,7)8)32(2)38(24-35-29-43(53(15,16)17)47(57)44(30-35)54(18,19)20)48(58-21)37(31)23-34-27-41(51(9,10)11)46(56)42(28-34)52(12,13)14/h25-30,55-57H,22-24H2,1-21H3
InChIKey
QDSWELIUCPGYMD-UHFFFAOYSA-N
Compound name
4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methoxy-2,6-dimethylphenyl]methyl]-2,6-ditert-butylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

790.59 Da
Monoisotopic Mass

17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 791.59728 287.1
[M+Na]+ 813.57922 289.1
[M-H]- 789.58272 295.2
[M+NH4]+ 808.62382 282.7
[M+K]+ 829.55316 287.6
[M+H-H2O]+ 773.58726 277.0
[M+HCOO]- 835.58820 286.4
[M+CH3COO]- 849.60385 304.6
[M+Na-2H]- 811.56467 281.3
[M]+ 790.58945 295.5
[M]- 790.59055 295.5
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.