CID 203258

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
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 243.0
[M+Na]+ 551.24172 244.6
[M-H]- 527.24522 254.5
[M+NH4]+ 546.28632 242.3
[M+K]+ 567.21566 225.4
[M+H-H2O]+ 511.24976 232.0
[M+HCOO]- 573.25070 259.4
[M+CH3COO]- 587.26635 239.0
[M+Na-2H]- 549.22717 247.0
[M]+ 528.25195 239.0
[M]- 528.25305 239.0
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.