CID 205755

Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylene))bis(1-methyl-, di-p-toluenesulfonate

Structural Information

Molecular Formula
C32H28N4O2
SMILES
C[N+]1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=C[N+](=CC=C5)C
InChI
InChI=1S/C32H26N4O2/c1-35-19-3-5-27(21-35)23-11-15-29(16-12-23)33-31(37)25-7-9-26(10-8-25)32(38)34-30-17-13-24(14-18-30)28-6-4-20-36(2)22-28/h3-22H,1-2H3/p+2
InChIKey
SXWDMARNTYMHHR-UHFFFAOYSA-P
Compound name
1-N,4-N-bis[4-(1-methylpyridin-1-ium-3-yl)phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.22122 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.22850 225.2
[M+Na]+ 523.21044 246.5
[M+NH4]+ 518.25504 233.5
[M+K]+ 539.18438 237.1
[M-H]- 499.21394 239.4
[M+Na-2H]- 521.19589 240.9
[M]+ 500.22067 233.2
[M]- 500.22177 233.2
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.