CID 218740

Brn 1499381

Structural Information

Molecular Formula
C10H15N3O6S2
SMILES
C1=CC(=C(N=C1)OCCCNCCSS(=O)(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C10H15N3O6S2/c14-13(15)9-3-1-5-12-10(9)19-7-2-4-11-6-8-20-21(16,17)18/h1,3,5,11H,2,4,6-8H2,(H,16,17,18)
InChIKey
BYCNQOVVSOKZEP-UHFFFAOYSA-N
Compound name
3-nitro-2-[3-(2-sulfosulfanylethylamino)propoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.04022 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.04750 165.8
[M+Na]+ 360.02944 173.3
[M+NH4]+ 355.07404 170.0
[M+K]+ 376.00338 169.4
[M-H]- 336.03294 165.3
[M+Na-2H]- 358.01489 168.2
[M]+ 337.03967 167.0
[M]- 337.04077 167.0
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.