CID 386879

Nsc679737

Structural Information

Molecular Formula
C36H50O2
SMILES
CC1=CC(=C(C=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C36H50O2/c1-21-15-26(24-19-29(35(9,10)11)32(38)30(20-24)36(12,13)14)22(2)16-25(21)23-17-27(33(3,4)5)31(37)28(18-23)34(6,7)8/h15-20,37-38H,1-14H3
InChIKey
BQIQUXLRMRIJGZ-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2,5-dimethylphenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.3811 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.38838 228.2
[M+Na]+ 537.37032 234.7
[M-H]- 513.37382 236.0
[M+NH4]+ 532.41492 235.2
[M+K]+ 553.34426 229.9
[M+H-H2O]+ 497.37836 220.4
[M+HCOO]- 559.37930 237.1
[M+CH3COO]- 573.39495 252.6
[M+Na-2H]- 535.35577 225.7
[M]+ 514.38055 232.6
[M]- 514.38165 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.