CID 218767

41287-27-8

Structural Information

Molecular Formula
C15H20N2O5S2
SMILES
CC1=CC(=NC2=C1C=C(C=C2)OC)OCCNCCSS(=O)(=O)O
InChI
InChI=1S/C15H20N2O5S2/c1-11-9-15(17-14-4-3-12(21-2)10-13(11)14)22-7-5-16-6-8-23-24(18,19)20/h3-4,9-10,16H,5-8H2,1-2H3,(H,18,19,20)
InChIKey
SEKQJFKGECWXEL-UHFFFAOYSA-N
Compound name
6-methoxy-4-methyl-2-[2-(2-sulfosulfanylethylamino)ethoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.08136 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08864 182.6
[M+Na]+ 395.07058 192.0
[M+NH4]+ 390.11518 188.1
[M+K]+ 411.04452 183.4
[M-H]- 371.07408 182.5
[M+Na-2H]- 393.05603 185.4
[M]+ 372.08081 184.6
[M]- 372.08191 184.6
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.