CID 218761

Brn 1520767

Structural Information

Molecular Formula
C19H35N3O8S4
SMILES
C1=CC(=NC(=C1)OCCCCCNCCSS(=O)(=O)O)OCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C19H35N3O8S4/c23-33(24,25)31-16-12-20-10-3-1-5-14-29-18-8-7-9-19(22-18)30-15-6-2-4-11-21-13-17-32-34(26,27)28/h7-9,20-21H,1-6,10-17H2,(H,23,24,25)(H,26,27,28)
InChIKey
PBTJOTZZTRRCSV-UHFFFAOYSA-N
Compound name
2,6-bis[5-(2-sulfosulfanylethylamino)pentoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

561.1307 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.13798 215.9
[M+Na]+ 584.11992 216.5
[M+NH4]+ 579.16452 216.5
[M+K]+ 600.09386 208.4
[M-H]- 560.12342 211.9
[M+Na-2H]- 582.10537 214.1
[M]+ 561.13015 215.8
[M]- 561.13125 215.8
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.