CID 3038406

94386-23-9

Structural Information

Molecular Formula
C29H44O2S
SMILES
CCCCSCCC(C1=C(C(=CC(=C1)C(C)(C)C)C)O)C2=C(C(=CC(=C2)C(C)(C)C)C)O
InChI
InChI=1S/C29H44O2S/c1-10-11-13-32-14-12-23(24-17-21(28(4,5)6)15-19(2)26(24)30)25-18-22(29(7,8)9)16-20(3)27(25)31/h15-18,23,30-31H,10-14H2,1-9H3
InChIKey
RUDLILYTSYUHAF-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-[1-(5-tert-butyl-2-hydroxy-3-methylphenyl)-3-butylsulfanylpropyl]-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.3062 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.31348 215.1
[M+Na]+ 479.29542 219.6
[M-H]- 455.29892 218.5
[M+NH4]+ 474.34002 224.3
[M+K]+ 495.26936 213.3
[M+H-H2O]+ 439.30346 207.7
[M+HCOO]- 501.30440 222.4
[M+CH3COO]- 515.32005 236.8
[M+Na-2H]- 477.28087 209.3
[M]+ 456.30565 221.4
[M]- 456.30675 221.4
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.