CID 205715

Quinolinium, 6,6'-(terephthaloyldiimino)bis(1-(2-ethoxyethyl)-, di-p-toluenesulfonate

Structural Information

Molecular Formula
C34H36N4O4
SMILES
CCOCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCOCC
InChI
InChI=1S/C34H34N4O4/c1-3-41-21-19-37-17-5-7-27-23-29(13-15-31(27)37)35-33(39)25-9-11-26(12-10-25)34(40)36-30-14-16-32-28(24-30)8-6-18-38(32)20-22-42-4-2/h5-18,23-24H,3-4,19-22H2,1-2H3/p+2
InChIKey
XIBREOMXZFTGHT-UHFFFAOYSA-P
Compound name
1-N,4-N-bis[1-(2-ethoxyethyl)quinolin-1-ium-6-yl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

564.2737 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.28098 240.1
[M+Na]+ 587.26292 259.1
[M+NH4]+ 582.30752 247.2
[M+K]+ 603.23686 249.9
[M-H]- 563.26642 250.4
[M+Na-2H]- 585.24837 250.2
[M]+ 564.27315 246.5
[M]- 564.27425 246.5
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.