CID 487287

8-(2,6-dichlorophenylthio)-5-quinolylamine

Structural Information

Molecular Formula
C15H10Cl2N2S
SMILES
C1=CC(=C(C(=C1)Cl)SC2=C3C(=C(C=C2)N)C=CC=N3)Cl
InChI
InChI=1S/C15H10Cl2N2S/c16-10-4-1-5-11(17)15(10)20-13-7-6-12(18)9-3-2-8-19-14(9)13/h1-8H,18H2
InChIKey
YWLAIOGDNXIYKR-UHFFFAOYSA-N
Compound name
8-(2,6-dichlorophenyl)sulfanylquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.99417 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00145 165.6
[M+Na]+ 342.98339 177.3
[M-H]- 318.98689 171.3
[M+NH4]+ 338.02799 181.6
[M+K]+ 358.95733 168.8
[M+H-H2O]+ 302.99143 159.4
[M+HCOO]- 364.99237 173.8
[M+CH3COO]- 379.00802 177.2
[M+Na-2H]- 340.96884 169.1
[M]+ 319.99362 169.9
[M]- 319.99472 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.