CID 218750

Brn 1503123

Structural Information

Molecular Formula
C13H20Br2N2O4S2
SMILES
C1=C(C=NC(=C1Br)OCCCCCCNCCSS(=O)(=O)O)Br
InChI
InChI=1S/C13H20Br2N2O4S2/c14-11-9-12(15)13(17-10-11)21-7-4-2-1-3-5-16-6-8-22-23(18,19)20/h9-10,16H,1-8H2,(H,18,19,20)
InChIKey
MYAPKIZEEJRDPD-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-[6-(2-sulfosulfanylethylamino)hexoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.92313 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.93041 155.1
[M+Na]+ 512.91235 148.1
[M+NH4]+ 507.95695 155.4
[M+K]+ 528.88629 154.0
[M-H]- 488.91585 154.3
[M+Na-2H]- 510.89780 155.5
[M]+ 489.92258 153.2
[M]- 489.92368 153.2
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.