CID 58288721

Dtxsid201020974

Structural Information

Molecular Formula
C65H84O4
SMILES
CC1=CC(=C(C(=C1)C2=C(C=CC(=C2)C(C)(C)C)OCCCOC3=C(C=C(C=C3)C(C)(C)C)C4=CC(=CC(=C4O)C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)C)O)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C65H84O4/c1-40-28-50(42-32-46(62(9,10)11)36-47(33-42)63(12,13)14)58(66)54(30-40)52-38-44(60(3,4)5)22-24-56(52)68-26-21-27-69-57-25-23-45(61(6,7)8)39-53(57)55-31-41(2)29-51(59(55)67)43-34-48(64(15,16)17)37-49(35-43)65(18,19)20/h22-25,28-39,66-67H,21,26-27H2,1-20H3
InChIKey
ZUBICKPRAVNZDE-UHFFFAOYSA-N
Compound name
2-[5-tert-butyl-2-[3-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

928.63696 Da
Monoisotopic Mass

20.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 929.64424 319.2
[M+Na]+ 951.62618 317.6
[M-H]- 927.62968 331.8
[M+NH4]+ 946.67078 307.8
[M+K]+ 967.60012 316.5
[M+H-H2O]+ 911.63422 302.8
[M+HCOO]- 973.63516 317.2
[M+CH3COO]- 987.65081 324.4
[M+Na-2H]- 949.61163 312.2
[M]+ 928.63641 325.4
[M]- 928.63751 325.4
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.