CID 3054476

8-(2-(phenylthio)ethylthio)quinoline

Structural Information

Molecular Formula
C17H15NS2
SMILES
C1=CC=C(C=C1)SCCSC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C17H15NS2/c1-2-8-15(9-3-1)19-12-13-20-16-10-4-6-14-7-5-11-18-17(14)16/h1-11H,12-13H2
InChIKey
MJLUZWZOKQEWIW-UHFFFAOYSA-N
Compound name
8-(2-phenylsulfanylethylsulfanyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0646 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07188 161.3
[M+Na]+ 320.05382 170.2
[M-H]- 296.05732 166.9
[M+NH4]+ 315.09842 177.2
[M+K]+ 336.02776 162.6
[M+H-H2O]+ 280.06186 153.8
[M+HCOO]- 342.06280 173.2
[M+CH3COO]- 356.07845 172.4
[M+Na-2H]- 318.03927 165.9
[M]+ 297.06405 164.3
[M]- 297.06515 164.3
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.