CID 3086375

93589-69-6

Structural Information

Molecular Formula

C₁₇H₂₀O₄S₂

SMILES

C1=CC(=CC=C1O)SCCOCOCCSC2=CC=C(C=C2)O

InChI

InChI=1S/C17H20O4S2/c18-14-1-5-16(6-2-14)22-11-9-20-13-21-10-12-23-17-7-3-15(19)4-8-17/h1-8,18-19H,9-13H2

InChIKey

QBZPUSKHVURBGP-UHFFFAOYSA-N

Compound name

4-[2-[2-(4-hydroxyphenyl)sulfanylethoxymethoxy]ethylsulfanyl]phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1641
Patents: 352.0803 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	353.08758	176.2
[M+Na]+	375.06952	187.8
[M+NH4]+	370.11412	183.8
[M+K]+	391.04346	176.9
[M-H]-	351.07302	179.5
[M+Na-2H]-	373.05497	182.3
[M]+	352.07975	179.7
[M]-	352.08085	179.7

Literature stripe

literature stripe

Patent stripe

patents stripe