CID 5900081

Nsc124637

Structural Information

Molecular Formula
C18H15NS
SMILES
CSC1=CC=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C18H15NS/c1-20-16-10-7-14(8-11-16)6-9-15-12-13-19-18-5-3-2-4-17(15)18/h2-13H,1H3/b9-6+
InChIKey
ULHYTJRGRNPACD-RMKNXTFCSA-N
Compound name
4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.09253 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09981 162.4
[M+Na]+ 300.08175 179.8
[M+NH4]+ 295.12635 173.1
[M+K]+ 316.05569 167.0
[M-H]- 276.08525 168.9
[M+Na-2H]- 298.06720 173.0
[M]+ 277.09198 167.6
[M]- 277.09308 167.6
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.