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 174.2
[M+Na]+ 346.08722 182.8
[M-H]- 322.09072 180.6
[M+NH4]+ 341.13182 188.6
[M+K]+ 362.06116 177.2
[M+H-H2O]+ 306.09526 165.6
[M+HCOO]- 368.09620 189.9
[M+CH3COO]- 382.11185 185.2
[M+Na-2H]- 344.07267 177.0
[M]+ 323.09745 179.1
[M]- 323.09855 179.1
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.