CID 6453120

55036-39-0

Structural Information

Molecular Formula
C30H42O2S
SMILES
CC(C)(C)C1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C3CCCC3)C(C)(C)C)O)C4CCCC4
InChI
InChI=1S/C30H42O2S/c1-29(2,3)21-15-23(19-11-7-8-12-19)27(31)25(17-21)33-26-18-22(30(4,5)6)16-24(28(26)32)20-13-9-10-14-20/h15-20,31-32H,7-14H2,1-6H3
InChIKey
GMMWGCRLFJBLBW-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-(5-tert-butyl-3-cyclopentyl-2-hydroxyphenyl)sulfanyl-6-cyclopentylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

466.29056 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.29784 218.3
[M+Na]+ 489.27978 221.9
[M-H]- 465.28328 228.1
[M+NH4]+ 484.32438 230.2
[M+K]+ 505.25372 215.6
[M+H-H2O]+ 449.28782 212.6
[M+HCOO]- 511.28876 225.7
[M+CH3COO]- 525.30441 231.9
[M+Na-2H]- 487.26523 209.8
[M]+ 466.29001 217.3
[M]- 466.29111 217.3
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