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 162.0
[M+Na]+ 353.03707 167.9
[M-H]- 329.04057 161.7
[M+NH4]+ 348.08167 174.3
[M+K]+ 369.01101 152.7
[M+H-H2O]+ 313.04511 157.4
[M+HCOO]- 375.04605 158.3
[M+CH3COO]- 389.06170 202.7
[M+Na-2H]- 351.02252 160.3
[M]+ 330.04730 159.5
[M]- 330.04840 159.6
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.