CID 23500933

26411-30-3

Structural Information

Molecular Formula
C30H46O2S
SMILES
CC1=C(C(=C(C=C1C(C)(C)C)C(C)(C)C)O)SC2=C(C(=CC(=C2O)C(C)(C)C)C(C)(C)C)C
InChI
InChI=1S/C30H46O2S/c1-17-19(27(3,4)5)15-21(29(9,10)11)23(31)25(17)33-26-18(2)20(28(6,7)8)16-22(24(26)32)30(12,13)14/h15-16,31-32H,1-14H3
InChIKey
CIYZCKSPWRANFK-UHFFFAOYSA-N
Compound name
4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)sulfanyl-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

470.32184 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.32912 212.5
[M+Na]+ 493.31106 219.0
[M-H]- 469.31456 216.9
[M+NH4]+ 488.35566 222.0
[M+K]+ 509.28500 214.2
[M+H-H2O]+ 453.31910 206.4
[M+HCOO]- 515.32004 217.5
[M+CH3COO]- 529.33569 241.4
[M+Na-2H]- 491.29651 209.6
[M]+ 470.32129 219.2
[M]- 470.32239 219.2
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