CID 218768

Brn 1502437

Structural Information

Molecular Formula
C15H20N2O5S2
SMILES
COC1=CC(=NC2=CC=CC=C21)OCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C15H20N2O5S2/c1-21-14-11-15(17-13-6-3-2-5-12(13)14)22-9-4-7-16-8-10-23-24(18,19)20/h2-3,5-6,11,16H,4,7-10H2,1H3,(H,18,19,20)
InChIKey
HUDJILALRMSBJY-UHFFFAOYSA-N
Compound name
4-methoxy-2-[3-(2-sulfosulfanylethylamino)propoxy]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 181.5
[M+Na]+ 395.07058 190.6
[M+NH4]+ 390.11518 187.1
[M+K]+ 411.04452 181.9
[M-H]- 371.07408 181.4
[M+Na-2H]- 393.05603 184.7
[M]+ 372.08081 183.5
[M]- 372.08191 183.5
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.