CID 218835

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

Structural Information

Molecular Formula
C34H56Br2N4O2S2
SMILES
C1=CC(=NC=C1Br)OCCCCCCCCCCNCCSSCCNCCCCCCCCCCOC2=NC=C(C=C2)Br
InChI
InChI=1S/C34H56Br2N4O2S2/c35-31-17-19-33(39-29-31)41-25-15-11-7-3-1-5-9-13-21-37-23-27-43-44-28-24-38-22-14-10-6-2-4-8-12-16-26-42-34-20-18-32(36)30-40-34/h17-20,29-30,37-38H,1-16,21-28H2
InChIKey
BWLPENKGQZMKTP-UHFFFAOYSA-N
Compound name
10-(5-bromopyridin-2-yl)oxy-N-[2-[2-[10-(5-bromopyridin-2-yl)oxydecylamino]ethyldisulfanyl]ethyl]decan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

774.2211 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.22838 208.6
[M+Na]+ 797.21032 210.4
[M-H]- 773.21382 211.3
[M+NH4]+ 792.25492 210.8
[M+K]+ 813.18426 189.0
[M+H-H2O]+ 757.21836 211.2
[M+HCOO]- 819.21930 212.1
[M+CH3COO]- 833.23495 271.3
[M+Na-2H]- 795.19577 209.8
[M]+ 774.22055 250.0
[M]- 774.22165 250.0
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.