CID 3063021

Mg 6878

Structural Information

Molecular Formula
C21H26O4S2
SMILES
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)SC(C)(C)SC2=CC=C(C=C2)O
InChI
InChI=1S/C21H26O4S2/c1-6-24-19(23)20(2,3)25-16-9-13-18(14-10-16)27-21(4,5)26-17-11-7-15(22)8-12-17/h7-14,22H,6H2,1-5H3
InChIKey
WJXXCBCXEHGZDY-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[2-(4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.12726 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.13454 196.6
[M+Na]+ 429.11648 206.8
[M+NH4]+ 424.16108 203.0
[M+K]+ 445.09042 197.8
[M-H]- 405.11998 198.5
[M+Na-2H]- 427.10193 201.9
[M]+ 406.12671 199.7
[M]- 406.12781 199.7
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.