CID 44150708

94021-13-3

Structural Information

Molecular Formula
C24H34O2S
SMILES
CC1=C(C=C(C(=C1C)O)C(C)(C)C)SC2=C(C(=C(C(=C2)C(C)(C)C)O)C)C
InChI
InChI=1S/C24H34O2S/c1-13-15(3)21(25)17(23(5,6)7)11-19(13)27-20-12-18(24(8,9)10)22(26)16(4)14(20)2/h11-12,25-26H,1-10H3
InChIKey
RLBFJDVQZTVRMU-UHFFFAOYSA-N
Compound name
6-tert-butyl-4-(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)sulfanyl-2,3-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

386.22797 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.23525 192.5
[M+Na]+ 409.21719 201.2
[M-H]- 385.22069 197.6
[M+NH4]+ 404.26179 205.3
[M+K]+ 425.19113 195.6
[M+H-H2O]+ 369.22523 186.3
[M+HCOO]- 431.22617 202.4
[M+CH3COO]- 445.24182 224.0
[M+Na-2H]- 407.20264 188.9
[M]+ 386.22742 198.5
[M]- 386.22852 198.5
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