PubChemLite - Pyridinium, 4,4'-(pimeloylbis(imino-p-phenyleneimino))bis(1-ethyl-, diperchlorate (C33H40N6O2)

Structural Information

Molecular Formula

SMILES

CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)CCCCCC(=O)NC3=CC=C(C=C3)NC4=CC=[N+](C=C4)CC

InChI

InChI=1S/C33H38N6O2/c1-3-38-22-18-30(19-23-38)34-26-10-14-28(15-11-26)36-32(40)8-6-5-7-9-33(41)37-29-16-12-27(13-17-29)35-31-20-24-39(4-2)25-21-31/h10-25H,3-9H2,1-2H3,(H2,36,37,40,41)/p+2

InChIKey

LGAPKECOCUVWDT-UHFFFAOYSA-P

Compound name

N,N'-bis[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]heptanediamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	553.32858	240.6
[M+Na]+	575.31052	239.3
[M-H]-	551.31402	248.9
[M+NH4]+	570.35512	239.1
[M+K]+	591.28446	220.9
[M+H-H2O]+	535.31856	230.6
[M+HCOO]-	597.31950	259.1
[M+CH3COO]-	611.33515	248.3
[M+Na-2H]-	573.29597	246.4
[M]+	552.32075	237.8
[M]-	552.32185	237.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

553.32858

240.6

[M+Na]+

575.31052

239.3

[M-H]-

551.31402

248.9

[M+NH4]+

570.35512

239.1

[M+K]+

591.28446

220.9

[M+H-H2O]+

535.31856

230.6

[M+HCOO]-

597.31950

259.1

[M+CH3COO]-

611.33515

248.3

[M+Na-2H]-

573.29597

246.4

[M]+

552.32075

237.8

[M]-

552.32185

237.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pyridinium, 4,4'-(pimeloylbis(imino-p-phenyleneimino))bis(1-ethyl-, diperchlorate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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