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 161.9
[M+Na]+ 302.07876 171.4
[M-H]- 278.08226 166.4
[M+NH4]+ 297.12336 176.3
[M+K]+ 318.05270 165.5
[M+H-H2O]+ 262.08680 154.0
[M+HCOO]- 324.08774 180.6
[M+CH3COO]- 338.10339 173.4
[M+Na-2H]- 300.06421 166.7
[M]+ 279.08899 161.5
[M]- 279.09009 161.5
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