CID 159919

2-bis(2-methylthio)vinyl-1-methylquinolinium

Structural Information

Molecular Formula
C14H16NS2
SMILES
C[N+]1=C(C=CC2=CC=CC=C21)C=C(SC)SC
InChI
InChI=1S/C14H16NS2/c1-15-12(10-14(16-2)17-3)9-8-11-6-4-5-7-13(11)15/h4-10H,1-3H3/q+1
InChIKey
UKPWJRHLCXDICJ-UHFFFAOYSA-N
Compound name
2-[2,2-bis(methylsulfanyl)ethenyl]-1-methylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

262.07242 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07970 150.3
[M+Na]+ 285.06164 166.1
[M+NH4]+ 280.10624 161.5
[M+K]+ 301.03558 154.8
[M-H]- 261.06514 155.6
[M+Na-2H]- 283.04709 157.7
[M]+ 262.07187 155.6
[M]- 262.07297 155.6
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.