CID 74184

1620-93-5

Structural Information

Molecular Formula
C30H46O2S
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C30H46O2S/c1-27(2,3)21-13-19(14-22(25(21)31)28(4,5)6)17-33-18-20-15-23(29(7,8)9)26(32)24(16-20)30(10,11)12/h13-16,31-32H,17-18H2,1-12H3
InChIKey
UDFARPRXWMDFQU-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanylmethyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12121
Patents

470.32184 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.32912 215.8
[M+Na]+ 493.31106 220.8
[M-H]- 469.31456 219.6
[M+NH4]+ 488.35566 224.8
[M+K]+ 509.28500 215.5
[M+H-H2O]+ 453.31910 209.2
[M+HCOO]- 515.32004 220.9
[M+CH3COO]- 529.33569 238.8
[M+Na-2H]- 491.29651 213.8
[M]+ 470.32129 221.8
[M]- 470.32239 221.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe