CID 203422

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

Structural Information

Molecular Formula
C28H24N4O2
SMILES
C[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=CC=[N+]5C)C=C4
InChI
InChI=1S/C28H22N4O2/c1-31-15-3-5-19-11-13-23(17-25(19)31)29-27(33)21-7-9-22(10-8-21)28(34)30-24-14-12-20-6-4-16-32(2)26(20)18-24/h3-18H,1-2H3/p+2
InChIKey
CIKOSPGUBMEZPN-UHFFFAOYSA-P
Compound name
1-N,4-N-bis(1-methylquinolin-1-ium-7-yl)benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.1899 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.19718 207.4
[M+Na]+ 471.17912 228.8
[M+NH4]+ 466.22372 216.8
[M+K]+ 487.15306 219.9
[M-H]- 447.18262 219.0
[M+Na-2H]- 469.16457 220.1
[M]+ 448.18935 214.7
[M]- 448.19045 214.7
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.