PubChemLite - Pyridine, 2,2'-dithiobis(ethyleneiminopentamethyleneoxy)bis(3,5-dichloro-, dihydrochloride (C24H34Cl4N4O2S2)

Structural Information

Molecular Formula

SMILES

C1=C(C=NC(=C1Cl)OCCCCCNCCSSCCNCCCCCOC2=C(C=C(C=N2)Cl)Cl)Cl

InChI

InChI=1S/C24H34Cl4N4O2S2/c25-19-15-21(27)23(31-17-19)33-11-5-1-3-7-29-9-13-35-36-14-10-30-8-4-2-6-12-34-24-22(28)16-20(26)18-32-24/h15-18,29-30H,1-14H2

InChIKey

PWVZQAWVBQDEGB-UHFFFAOYSA-N

Compound name

5-(3,5-dichloropyridin-2-yl)oxy-N-[2-[2-[5-(3,5-dichloropyridin-2-yl)oxypentylamino]ethyldisulfanyl]ethyl]pentan-1-amine

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]+	615.09498	221.2
[M+Na]+	637.07692	224.2
[M-H]-	613.08042	220.6
[M+NH4]+	632.12152	223.6
[M+K]+	653.05086	215.4
[M+H-H2O]+	597.08496	213.9
[M+HCOO]-	659.08590	212.2
[M+CH3COO]-	673.10155	254.8
[M+Na-2H]-	635.06237	217.3
[M]+	614.08715	231.1
[M]-	614.08825	231.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

615.09498

221.2

[M+Na]+

637.07692

224.2

[M-H]-

613.08042

220.6

[M+NH4]+

632.12152

223.6

[M+K]+

653.05086

215.4

[M+H-H2O]+

597.08496

213.9

[M+HCOO]-

659.08590

212.2

[M+CH3COO]-

673.10155

254.8

[M+Na-2H]-

635.06237

217.3

[M]+

614.08715

231.1

[M]-

614.08825

231.1

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

Pyridine, 2,2'-dithiobis(ethyleneiminopentamethyleneoxy)bis(3,5-dichloro-, dihydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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