CID 468577

1-(4-hydroxy-2-phenyl-6-quinolyl)propan-1-one

Structural Information

Molecular Formula
C18H15NO2
SMILES
CCC(=O)C1=CC2=C(C=C1)NC(=CC2=O)C3=CC=CC=C3
InChI
InChI=1S/C18H15NO2/c1-2-17(20)13-8-9-15-14(10-13)18(21)11-16(19-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,19,21)
InChIKey
ZBICFNLGZCBVIG-UHFFFAOYSA-N
Compound name
2-phenyl-6-propanoyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.1103 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 163.1
[M+Na]+ 300.09952 171.8
[M-H]- 276.10302 168.3
[M+NH4]+ 295.14412 178.0
[M+K]+ 316.07346 165.7
[M+H-H2O]+ 260.10756 154.6
[M+HCOO]- 322.10850 182.7
[M+CH3COO]- 336.12415 174.5
[M+Na-2H]- 298.08497 168.4
[M]+ 277.10975 162.8
[M]- 277.11085 162.8
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.