CID 5276277

Schembl9740521

Structural Information

Molecular Formula
C17H15NO2
SMILES
COC1=CC(=O)C2=CC=CC=C2N1CC3=CC=CC=C3
InChI
InChI=1S/C17H15NO2/c1-20-17-11-16(19)14-9-5-6-10-15(14)18(17)12-13-7-3-2-4-8-13/h2-11H,12H2,1H3
InChIKey
QDYJUWJBECWXFK-UHFFFAOYSA-N
Compound name
1-benzyl-2-methoxyquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.1103 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 159.5
[M+Na]+ 288.09952 169.1
[M-H]- 264.10302 166.1
[M+NH4]+ 283.14412 175.8
[M+K]+ 304.07346 164.1
[M+H-H2O]+ 248.10756 150.6
[M+HCOO]- 310.10850 181.8
[M+CH3COO]- 324.12415 172.1
[M+Na-2H]- 286.08497 166.9
[M]+ 265.10975 162.0
[M]- 265.11085 162.0
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.