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 248.2
[M+Na]+ 587.26292 249.9
[M-H]- 563.26642 255.5
[M+NH4]+ 582.30752 248.5
[M+K]+ 603.23686 232.4
[M+H-H2O]+ 547.27096 237.8
[M+HCOO]- 609.27190 263.3
[M+CH3COO]- 623.28755 245.9
[M+Na-2H]- 585.24837 255.1
[M]+ 564.27315 250.5
[M]- 564.27425 250.5
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.