CID 112496

62546-75-2

Structural Information

Molecular Formula
C48H78O6S2
SMILES
CC(CSCCSCC(C)C(=O)OCC(C)(C)CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)OCC(C)(C)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C48H78O6S2/c1-31(41(51)53-29-47(15,16)25-33-21-35(43(3,4)5)39(49)36(22-33)44(6,7)8)27-55-19-20-56-28-32(2)42(52)54-30-48(17,18)26-34-23-37(45(9,10)11)40(50)38(24-34)46(12,13)14/h21-24,31-32,49-50H,19-20,25-30H2,1-18H3
InChIKey
ZZZJYMQEUKEZGV-UHFFFAOYSA-N
Compound name
[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropyl] 3-[2-[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropoxy]-2-methyl-3-oxopropyl]sulfanylethylsulfanyl]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

814.524 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 815.53128 286.8
[M+Na]+ 837.51322 289.8
[M+NH4]+ 832.55782 293.2
[M+K]+ 853.48716 293.0
[M-H]- 813.51672 284.5
[M+Na-2H]- 835.49867 277.7
[M]+ 814.52345 288.3
[M]- 814.52455 288.3
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