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]+ 537.249676 239.6
[M+Na]+ 559.231618 242.3
[M-H]- 535.235124 247.4
[M+NH4]+ 554.276223 241.0
[M+K]+ 575.205558 225.1
[M+H-H2O]+ 519.239660 229.6
[M+HCOO]- 581.240601 255.4
[M+CH3COO]- 595.256251 240.4
[M+Na-2H]- 557.217066 247.5
[M]+ 536.24185142 241.4
[M]- 536.24294858 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.