CID 6481346

Pyridine, 4,4'-[sulfonylbis(4,1-phenyleneoxymethylene)]bis-

Structural Information

Molecular Formula
C24H20N2O4S
SMILES
C1=CC(=CC=C1OCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=NC=C4
InChI
InChI=1S/C24H20N2O4S/c27-31(28,23-5-1-21(2-6-23)29-17-19-9-13-25-14-10-19)24-7-3-22(4-8-24)30-18-20-11-15-26-16-12-20/h1-16H,17-18H2
InChIKey
VLGNGLRPWAENEI-UHFFFAOYSA-N
Compound name
4-[[4-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylphenoxy]methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.11438 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.12166 203.4
[M+Na]+ 455.10360 210.5
[M-H]- 431.10710 213.0
[M+NH4]+ 450.14820 209.3
[M+K]+ 471.07754 203.7
[M+H-H2O]+ 415.11164 191.2
[M+HCOO]- 477.11258 218.6
[M+CH3COO]- 491.12823 211.7
[M+Na-2H]- 453.08905 208.1
[M]+ 432.11383 207.2
[M]- 432.11493 207.2
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.