CID 220303

3273-24-3

Structural Information

Molecular Formula
C20H26O2S
SMILES
CC(C)(C)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(C)(C)C)O
InChI
InChI=1S/C20H26O2S/c1-19(2,3)13-7-9-15(21)17(11-13)23-18-12-14(20(4,5)6)8-10-16(18)22/h7-12,21-22H,1-6H3
InChIKey
KERJVHXRZDUVKQ-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

191
Patents

330.16534 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17262 179.1
[M+Na]+ 353.15456 186.6
[M-H]- 329.15806 183.7
[M+NH4]+ 348.19916 193.3
[M+K]+ 369.12850 181.2
[M+H-H2O]+ 313.16260 172.9
[M+HCOO]- 375.16354 190.7
[M+CH3COO]- 389.17919 207.0
[M+Na-2H]- 351.14001 179.7
[M]+ 330.16479 182.2
[M]- 330.16589 182.2
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

No patent data available for this compound.