CID 218821

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

Structural Information

Molecular Formula
C24H34Br4N4O2S2
SMILES
C1=C(C=NC(=C1Br)OCCCCCNCCSSCCNCCCCCOC2=C(C=C(C=N2)Br)Br)Br
InChI
InChI=1S/C24H34Br4N4O2S2/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
AGYXMKMUUKZIKQ-UHFFFAOYSA-N
Compound name
5-(3,5-dibromopyridin-2-yl)oxy-N-[2-[2-[5-(3,5-dibromopyridin-2-yl)oxypentylamino]ethyldisulfanyl]ethyl]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

789.8857 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 790.89298 158.5
[M+Na]+ 812.87492 162.4
[M-H]- 788.87842 161.7
[M+NH4]+ 807.91952 163.4
[M+K]+ 828.84886 147.3
[M+H-H2O]+ 772.88296 174.6
[M+HCOO]- 834.88390 159.9
[M+CH3COO]- 848.89955 256.6
[M+Na-2H]- 810.86037 160.6
[M]+ 789.88515 199.0
[M]- 789.88625 199.0
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.