CID 218815

Pyridine, 2,2'-dithiobis(ethyleneiminoethyleneoxy)bis(5-bromo-, dihydrochloride

Structural Information

Molecular Formula
C18H24Br2N4O2S2
SMILES
C1=CC(=NC=C1Br)OCCNCCSSCCNCCOC2=NC=C(C=C2)Br
InChI
InChI=1S/C18H24Br2N4O2S2/c19-15-1-3-17(23-13-15)25-9-5-21-7-11-27-28-12-8-22-6-10-26-18-4-2-16(20)14-24-18/h1-4,13-14,21-22H,5-12H2
InChIKey
UOOYLDXGCNVHTO-UHFFFAOYSA-N
Compound name
2-(5-bromopyridin-2-yl)oxy-N-[2-[2-[2-(5-bromopyridin-2-yl)oxyethylamino]ethyldisulfanyl]ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.97076 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.97804 156.5
[M+Na]+ 572.95998 164.3
[M-H]- 548.96348 162.0
[M+NH4]+ 568.00458 166.0
[M+K]+ 588.93392 145.2
[M+H-H2O]+ 532.96802 161.7
[M+HCOO]- 594.96896 164.2
[M+CH3COO]- 608.98461 238.2
[M+Na-2H]- 570.94543 163.3
[M]+ 549.97021 194.7
[M]- 549.97131 194.7
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.