CID 16723215

6-phenoxy-1,4-dihydroquinolin-4-one

Structural Information

Molecular Formula
C15H11NO2
SMILES
C1=CC=C(C=C1)OC2=CC3=C(C=C2)NC=CC3=O
InChI
InChI=1S/C15H11NO2/c17-15-8-9-16-14-7-6-12(10-13(14)15)18-11-4-2-1-3-5-11/h1-10H,(H,16,17)
InChIKey
BBMPRDGTSPIYCL-UHFFFAOYSA-N
Compound name
6-phenoxy-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

237.07898 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.086256 150.2
[M+Na]+ 260.068198 159.4
[M-H]- 236.071704 155.4
[M+NH4]+ 255.112803 166.6
[M+K]+ 276.042138 153.9
[M+H-H2O]+ 220.076240 141.9
[M+HCOO]- 282.077181 171.7
[M+CH3COO]- 296.092831 162.7
[M+Na-2H]- 258.053646 159.0
[M]+ 237.07843142 149.8
[M]- 237.07952858 149.8
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

patents stripe