CID 205759

Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenylene))bis(1-methyl-, di-p-toluenesulfonate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 234.6
[M+Na]+ 523.21044 237.1
[M-H]- 499.21394 246.6
[M+NH4]+ 518.25504 235.0
[M+K]+ 539.18438 218.3
[M+H-H2O]+ 483.21848 224.1
[M+HCOO]- 545.21942 251.7
[M+CH3COO]- 559.23507 233.6
[M+Na-2H]- 521.19589 239.5
[M]+ 500.22067 230.1
[M]- 500.22177 230.1
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

patents stripe