PubChemLite - 2,2'-(dithiobis(ethyleneiminopentamethyleneoxy))bis(5-bromopyridine) dihydrochloride (C24H36Br2N4O2S2)

Structural Information

Molecular Formula

SMILES

C1=CC(=NC=C1Br)OCCCCCNCCSSCCNCCCCCOC2=NC=C(C=C2)Br

InChI

InChI=1S/C24H36Br2N4O2S2/c25-21-7-9-23(29-19-21)31-15-5-1-3-11-27-13-17-33-34-18-14-28-12-4-2-6-16-32-24-10-8-22(26)20-30-24/h7-10,19-20,27-28H,1-6,11-18H2

InChIKey

LQHUSXRXXLQDIP-UHFFFAOYSA-N

Compound name

5-(5-bromopyridin-2-yl)oxy-N-[2-[2-[5-(5-bromopyridin-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]+	635.07192	176.6
[M+Na]+	657.05386	182.2
[M-H]-	633.05736	181.1
[M+NH4]+	652.09846	183.4
[M+K]+	673.02780	162.1
[M+H-H2O]+	617.06190	180.8
[M+HCOO]-	679.06284	182.8
[M+CH3COO]-	693.07849	250.8
[M+Na-2H]-	655.03931	181.3
[M]+	634.06409	216.1
[M]-	634.06519	216.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

635.07192

176.6

[M+Na]+

657.05386

182.2

[M-H]-

633.05736

181.1

[M+NH4]+

652.09846

183.4

[M+K]+

673.02780

162.1

[M+H-H2O]+

617.06190

180.8

[M+HCOO]-

679.06284

182.8

[M+CH3COO]-

693.07849

250.8

[M+Na-2H]-

655.03931

181.3

[M]+

634.06409

216.1

[M]-

634.06519

216.1

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

2,2'-(dithiobis(ethyleneiminopentamethyleneoxy))bis(5-bromopyridine) dihydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe