CID 218770

Brn 1658206

Structural Information

Molecular Formula
C16H22N2O4S2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)OCCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C16H22N2O4S2/c19-24(20,21)23-13-11-17-10-4-1-5-12-22-16-9-8-14-6-2-3-7-15(14)18-16/h2-3,6-9,17H,1,4-5,10-13H2,(H,19,20,21)
InChIKey
YAMYUNXLJMWLTK-UHFFFAOYSA-N
Compound name
2-[5-(2-sulfosulfanylethylamino)pentoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1021 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.10938 181.6
[M+Na]+ 393.09132 190.7
[M+NH4]+ 388.13592 187.6
[M+K]+ 409.06526 181.1
[M-H]- 369.09482 181.9
[M+Na-2H]- 391.07677 185.2
[M]+ 370.10155 183.7
[M]- 370.10265 183.7
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.