CID 218762

Brn 1688576

Structural Information

Molecular Formula
C14H18N2O4S2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)OCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C14H18N2O4S2/c17-22(18,19)21-11-9-15-8-3-10-20-14-7-6-12-4-1-2-5-13(12)16-14/h1-2,4-7,15H,3,8-11H2,(H,17,18,19)
InChIKey
FXEOMSOMYPLDTM-UHFFFAOYSA-N
Compound name
2-[3-(2-sulfosulfanylethylamino)propoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0708 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07808 173.4
[M+Na]+ 365.06002 183.0
[M+NH4]+ 360.10462 179.8
[M+K]+ 381.03396 173.8
[M-H]- 341.06352 173.9
[M+Na-2H]- 363.04547 177.5
[M]+ 342.07025 175.7
[M]- 342.07135 175.7
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.