CID 205753

Pyridinium, 2,2'-(terephthaloylbis(imino-p-phenylene))bis(1-propyl-, di-p-toluenesulfonate

Structural Information

Molecular Formula
C36H36N4O2
SMILES
CCC[N+]1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CC=CC=[N+]5CCC
InChI
InChI=1S/C36H34N4O2/c1-3-23-39-25-7-5-9-33(39)27-15-19-31(20-16-27)37-35(41)29-11-13-30(14-12-29)36(42)38-32-21-17-28(18-22-32)34-10-6-8-26-40(34)24-4-2/h5-22,25-26H,3-4,23-24H2,1-2H3/p+2
InChIKey
DESWGSKHXGIWNM-UHFFFAOYSA-P
Compound name
1-N,4-N-bis[4-(1-propylpyridin-1-ium-2-yl)phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

556.2838 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.29108 242.8
[M+Na]+ 579.27302 263.2
[M+NH4]+ 574.31762 250.3
[M+K]+ 595.24696 252.9
[M-H]- 555.27652 256.8
[M+Na-2H]- 577.25847 257.3
[M]+ 556.28325 250.6
[M]- 556.28435 250.6
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.