CID 205735

Quinolinium, 6,6'-(terephthaloyldiimino)bis(1-ethyl-, di-p-toluenesulfonate

Structural Information

Molecular Formula
C30H28N4O2
SMILES
CC[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=CC=[N+]5CC)C=C4
InChI
InChI=1S/C30H26N4O2/c1-3-33-17-5-7-21-13-15-25(19-27(21)33)31-29(35)23-9-11-24(12-10-23)30(36)32-26-16-14-22-8-6-18-34(4-2)28(22)20-26/h5-20H,3-4H2,1-2H3/p+2
InChIKey
IJFALUYLILYTIL-UHFFFAOYSA-P
Compound name
1-N,4-N-bis(1-ethylquinolin-1-ium-7-yl)benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.22122 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.22850 216.4
[M+Na]+ 499.21044 237.3
[M+NH4]+ 494.25504 225.4
[M+K]+ 515.18438 228.0
[M-H]- 475.21394 227.9
[M+Na-2H]- 497.19589 228.5
[M]+ 476.22067 223.6
[M]- 476.22177 223.6
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.