CID 203619

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

Structural Information

Molecular Formula
C34H32N4O2
SMILES
CC[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)CC
InChI
InChI=1S/C34H30N4O2/c1-3-37-21-5-7-29(23-37)25-13-17-31(18-14-25)35-33(39)27-9-11-28(12-10-27)34(40)36-32-19-15-26(16-20-32)30-8-6-22-38(4-2)24-30/h5-24H,3-4H2,1-2H3/p+2
InChIKey
VXDRDHSZAKJMDJ-UHFFFAOYSA-P
Compound name
1-N,4-N-bis[4-(1-ethylpyridin-1-ium-3-yl)phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.2525 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.25978 234.0
[M+Na]+ 551.24172 254.9
[M+NH4]+ 546.28632 242.0
[M+K]+ 567.21566 245.0
[M-H]- 527.24522 248.1
[M+Na-2H]- 549.22717 249.1
[M]+ 528.25195 241.9
[M]- 528.25305 241.9
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.