CID 269183

4-methyl-1-phenyl-2(1h)-quinolone

Structural Information

Molecular Formula
C16H13NO
SMILES
CC1=CC(=O)N(C2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO/c1-12-11-16(18)17(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-11H,1H3
InChIKey
ILKUVYJZEPVFHW-UHFFFAOYSA-N
Compound name
4-methyl-1-phenylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

94
Patents

235.09972 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.106996 151.3
[M+Na]+ 258.088938 161.5
[M-H]- 234.092444 158.2
[M+NH4]+ 253.133543 168.9
[M+K]+ 274.062878 156.2
[M+H-H2O]+ 218.096980 142.9
[M+HCOO]- 280.097921 173.8
[M+CH3COO]- 294.113571 164.6
[M+Na-2H]- 256.074386 159.3
[M]+ 235.09917142 152.1
[M]- 235.10026858 152.1
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

patents stripe