CID 54697293

3-(2-chlorobenzoyl)-4-hydroxy-6-(1-methylethyl)-2(1h)-quinolinone

Structural Information

Molecular Formula
C19H16ClNO3
SMILES
CC(C)C1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C19H16ClNO3/c1-10(2)11-7-8-15-13(9-11)18(23)16(19(24)21-15)17(22)12-5-3-4-6-14(12)20/h3-10H,1-2H3,(H2,21,23,24)
InChIKey
IGJZFBWXWPPVJF-UHFFFAOYSA-N
Compound name
3-(2-chlorobenzoyl)-4-hydroxy-6-propan-2-yl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

341.08188 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08916 177.2
[M+Na]+ 364.07110 193.5
[M+NH4]+ 359.11570 184.6
[M+K]+ 380.04504 185.9
[M-H]- 340.07460 180.6
[M+Na-2H]- 362.05655 184.1
[M]+ 341.08133 180.9
[M]- 341.08243 180.9
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