CID 855479

134826-35-0

Structural Information

Molecular Formula
C19H17NO2S
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)SCC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H17NO2S/c1-13-10-19(16-11-15(22-2)8-9-17(16)20-13)23-12-18(21)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKey
LYHQALUOBFIRPL-UHFFFAOYSA-N
Compound name
2-(6-methoxy-2-methylquinolin-4-yl)sulfanyl-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.098 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10528 173.6
[M+Na]+ 346.08722 189.6
[M+NH4]+ 341.13182 182.7
[M+K]+ 362.06116 178.7
[M-H]- 322.09072 178.9
[M+Na-2H]- 344.07267 182.5
[M]+ 323.09745 178.1
[M]- 323.09855 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.