CID 54697300

3-(2,4-dimethylbenzoyl)-4-hydroxy-2(1h)-quinolinone

Structural Information

Molecular Formula
C18H15NO3
SMILES
CC1=CC(=C(C=C1)C(=O)C2=C(C3=CC=CC=C3NC2=O)O)C
InChI
InChI=1S/C18H15NO3/c1-10-7-8-12(11(2)9-10)16(20)15-17(21)13-5-3-4-6-14(13)19-18(15)22/h3-9H,1-2H3,(H2,19,21,22)
InChIKey
CZHHVPCYLWANKA-UHFFFAOYSA-N
Compound name
3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

293.1052 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 167.3
[M+Na]+ 316.09442 183.3
[M+NH4]+ 311.13902 174.7
[M+K]+ 332.06836 176.1
[M-H]- 292.09792 170.8
[M+Na-2H]- 314.07987 174.7
[M]+ 293.10465 170.7
[M]- 293.10575 170.7
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