CID 218817

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

Structural Information

Molecular Formula
C20H28Br2N4O2S2
SMILES
C1=CC(=NC=C1Br)OCCCNCCSSCCNCCCOC2=NC=C(C=C2)Br
InChI
InChI=1S/C20H28Br2N4O2S2/c21-17-3-5-19(25-15-17)27-11-1-7-23-9-13-29-30-14-10-24-8-2-12-28-20-6-4-18(22)16-26-20/h3-6,15-16,23-24H,1-2,7-14H2
InChIKey
VTVNHELHQVLLGM-UHFFFAOYSA-N
Compound name
3-(5-bromopyridin-2-yl)oxy-N-[2-[2-[3-(5-bromopyridin-2-yl)oxypropylamino]ethyldisulfanyl]ethyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.002 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.00928 163.2
[M+Na]+ 600.99122 170.3
[M-H]- 576.99472 168.5
[M+NH4]+ 596.03582 171.9
[M+K]+ 616.96516 150.9
[M+H-H2O]+ 560.99926 168.2
[M+HCOO]- 623.00020 170.5
[M+CH3COO]- 637.01585 242.4
[M+Na-2H]- 598.97667 169.4
[M]+ 578.00145 201.9
[M]- 578.00255 201.9
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.