CID 215326

35455-62-0

Structural Information

Molecular Formula
C28H42O4S
SMILES
CC(C)(C)C1=CC(=C(C(=C1O)SC2=C(C(=CC(=C2O)C(C)(C)C)C(C)(C)C)O)O)C(C)(C)C
InChI
InChI=1S/C28H42O4S/c1-25(2,3)15-13-16(26(4,5)6)20(30)23(19(15)29)33-24-21(31)17(27(7,8)9)14-18(22(24)32)28(10,11)12/h13-14,29-32H,1-12H3
InChIKey
JHCCIUPVUCVKIJ-UHFFFAOYSA-N
Compound name
4,6-ditert-butyl-2-(3,5-ditert-butyl-2,6-dihydroxyphenyl)sulfanylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

488
Patents

474.2804 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.28768 213.1
[M+Na]+ 497.26962 218.7
[M-H]- 473.27312 214.9
[M+NH4]+ 492.31422 220.7
[M+K]+ 513.24356 214.3
[M+H-H2O]+ 457.27766 207.5
[M+HCOO]- 519.27860 216.0
[M+CH3COO]- 533.29425 235.6
[M+Na-2H]- 495.25507 211.0
[M]+ 474.27985 218.3
[M]- 474.28095 218.3
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