CID 135687104

4-hydroxy-3-(4-methylbenzoyl)-2(1h)-quinolinone

Structural Information

Molecular Formula
C17H13NO3
SMILES
CC1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C17H13NO3/c1-10-6-8-11(9-7-10)15(19)14-16(20)12-4-2-3-5-13(12)18-17(14)21/h2-9H,1H3,(H2,18,20,21)
InChIKey
NVBYIXDALDCEOT-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(4-methylbenzoyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

279.08954 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 162.7
[M+Na]+ 302.07876 178.6
[M+NH4]+ 297.12336 170.3
[M+K]+ 318.05270 171.4
[M-H]- 278.08226 166.2
[M+Na-2H]- 300.06421 170.7
[M]+ 279.08899 166.0
[M]- 279.09009 166.0
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

patents stripe