CID 58288721

Dtxsid101020983

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]+ 929.644236 319.2
[M+Na]+ 951.626178 317.6
[M-H]- 927.629684 331.8
[M+NH4]+ 946.670783 307.8
[M+K]+ 967.600118 316.5
[M+H-H2O]+ 911.634220 302.8
[M+HCOO]- 973.635161 317.2
[M+CH3COO]- 987.650811 324.4
[M+Na-2H]- 949.611626 312.2
[M]+ 928.63641142 325.4
[M]- 928.63750858 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.