CID 218764

Brn 1690530

Structural Information

Molecular Formula
C15H19ClN2O4S2
SMILES
CC1=CC(=NC2=C1C=C(C=C2)Cl)OCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C15H19ClN2O4S2/c1-11-9-15(18-14-4-3-12(16)10-13(11)14)22-7-2-5-17-6-8-23-24(19,20)21/h3-4,9-10,17H,2,5-8H2,1H3,(H,19,20,21)
InChIKey
UIYBGSIWFJRRAZ-UHFFFAOYSA-N
Compound name
6-chloro-4-methyl-2-[3-(2-sulfosulfanylethylamino)propoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0475 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.05478 186.5
[M+Na]+ 413.03672 197.2
[M+NH4]+ 408.08132 192.8
[M+K]+ 429.01066 187.1
[M-H]- 389.04022 186.9
[M+Na-2H]- 411.02217 189.7
[M]+ 390.04695 189.2
[M]- 390.04805 189.2
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.