CID 218766

Brn 1689683

Structural Information

Molecular Formula
C15H20N2O4S2
SMILES
CC1=CC(=NC2=CC=CC=C12)OCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C15H20N2O4S2/c1-12-11-15(17-14-6-3-2-5-13(12)14)21-9-4-7-16-8-10-22-23(18,19)20/h2-3,5-6,11,16H,4,7-10H2,1H3,(H,18,19,20)
InChIKey
ZHPJNOBWVPAADW-UHFFFAOYSA-N
Compound name
4-methyl-2-[3-(2-sulfosulfanylethylamino)propoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.08646 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09374 178.5
[M+Na]+ 379.07568 188.1
[M+NH4]+ 374.12028 184.6
[M+K]+ 395.04962 178.9
[M-H]- 355.07918 178.9
[M+Na-2H]- 377.06113 182.0
[M]+ 356.08591 180.7
[M]- 356.08701 180.7
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.