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

15
Patents

237.07898 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 150.2
[M+Na]+ 260.06820 159.4
[M-H]- 236.07170 155.4
[M+NH4]+ 255.11280 166.6
[M+K]+ 276.04214 153.9
[M+H-H2O]+ 220.07624 141.9
[M+HCOO]- 282.07718 171.7
[M+CH3COO]- 296.09283 162.7
[M+Na-2H]- 258.05365 159.0
[M]+ 237.07843 149.8
[M]- 237.07953 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