CID 4522662

33163-22-3

Structural Information

Molecular Formula
C22H30O4S
SMILES
CC1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C22H30O4S/c1-13-9-17(23)15(21(3,4)5)11-19(13)27(25,26)20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3
InChIKey
WXWMNIHSZVPJOL-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

465
Patents

390.1865 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19378 198.5
[M+Na]+ 413.17572 210.1
[M+NH4]+ 408.22032 203.7
[M+K]+ 429.14966 203.9
[M-H]- 389.17922 199.3
[M+Na-2H]- 411.16117 202.7
[M]+ 390.18595 201.1
[M]- 390.18705 201.1
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

patents stripe