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 180.4
[M+Na]+ 395.07058 187.2
[M-H]- 371.07408 181.2
[M+NH4]+ 390.11518 191.9
[M+K]+ 411.04452 181.7
[M+H-H2O]+ 355.07862 173.1
[M+HCOO]- 417.07956 189.9
[M+CH3COO]- 431.09521 212.8
[M+Na-2H]- 393.05603 184.5
[M]+ 372.08081 188.1
[M]- 372.08191 188.1
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.