CID 3056871

73855-30-8

Structural Information

Molecular Formula
C16H14NS
SMILES
C[N+]1=C(C=CC2=CC=CC=C21)SC3=CC=CC=C3
InChI
InChI=1S/C16H14NS/c1-17-15-10-6-5-7-13(15)11-12-16(17)18-14-8-3-2-4-9-14/h2-12H,1H3/q+1
InChIKey
OFUDJJBYHSAZEM-UHFFFAOYSA-N
Compound name
1-methyl-2-phenylsulfanylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0847 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09198 150.4
[M+Na]+ 275.07392 170.1
[M+NH4]+ 270.11852 162.8
[M+K]+ 291.04786 158.6
[M-H]- 251.07742 158.9
[M+Na-2H]- 273.05937 162.8
[M]+ 252.08415 156.9
[M]- 252.08525 156.9
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.