CID 44148715

93840-41-6

Structural Information

Molecular Formula
C32H46O2S
SMILES
CC(C)(C)C1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C3CCCCC3)C(C)(C)C)O)C4CCCCC4
InChI
InChI=1S/C32H46O2S/c1-31(2,3)23-17-25(21-13-9-7-10-14-21)29(33)27(19-23)35-28-20-24(32(4,5)6)18-26(30(28)34)22-15-11-8-12-16-22/h17-22,33-34H,7-16H2,1-6H3
InChIKey
QNSYHXDDRBXVHK-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-(5-tert-butyl-3-cyclohexyl-2-hydroxyphenyl)sulfanyl-6-cyclohexylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

494.32184 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.32912 222.8
[M+Na]+ 517.31106 223.1
[M-H]- 493.31456 230.1
[M+NH4]+ 512.35566 228.9
[M+K]+ 533.28500 216.3
[M+H-H2O]+ 477.31910 213.6
[M+HCOO]- 539.32004 224.6
[M+CH3COO]- 553.33569 239.1
[M+Na-2H]- 515.29651 216.5
[M]+ 494.32129 217.2
[M]- 494.32239 217.2
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