CID 13718303

104664-44-0

Structural Information

Molecular Formula
C14H20NS4
SMILES
C[N+]1=C(C=CC=C1C=C(SC)SC)C=C(SC)SC
InChI
InChI=1S/C14H20NS4/c1-15-11(9-13(16-2)17-3)7-6-8-12(15)10-14(18-4)19-5/h6-10H,1-5H3/q+1
InChIKey
MCZWFSRIGQDEJZ-UHFFFAOYSA-N
Compound name
2,6-bis[2,2-bis(methylsulfanyl)ethenyl]-1-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.04785 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.05513 160.3
[M+Na]+ 353.03707 171.2
[M+NH4]+ 348.08167 169.3
[M+K]+ 369.01101 159.2
[M-H]- 329.04057 163.8
[M+Na-2H]- 351.02252 163.2
[M]+ 330.04730 164.9
[M]- 330.04840 164.9
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.