CID 203288

Quinolinium, 6,6'-(terephthaloyldiimino)bis(1-(2-methoxyethyl)-, di-p-toluenesulfonate

Structural Information

Molecular Formula
C32H32N4O4
SMILES
COCC[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=CC=[N+]5CCOC)C=C4
InChI
InChI=1S/C32H30N4O4/c1-39-19-17-35-15-3-5-23-11-13-27(21-29(23)35)33-31(37)25-7-9-26(10-8-25)32(38)34-28-14-12-24-6-4-16-36(18-20-40-2)30(24)22-28/h3-16,21-22H,17-20H2,1-2H3/p+2
InChIKey
JQDRASZJJDZRGD-UHFFFAOYSA-P
Compound name
1-N,4-N-bis[1-(2-methoxyethyl)quinolin-1-ium-7-yl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.2424 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.24968 239.6
[M+Na]+ 559.23162 242.3
[M-H]- 535.23512 247.4
[M+NH4]+ 554.27622 241.0
[M+K]+ 575.20556 225.1
[M+H-H2O]+ 519.23966 229.6
[M+HCOO]- 581.24060 255.4
[M+CH3COO]- 595.25625 240.4
[M+Na-2H]- 557.21707 247.5
[M]+ 536.24185 241.4
[M]- 536.24295 241.4
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.