CID 54697294

2(1h)-quinolinone, 3-(2-chlorobenzoyl)-4-hydroxy-6,8-dimethyl-

Structural Information

Molecular Formula
C18H14ClNO3
SMILES
CC1=CC(=C2C(=C1)C(=C(C(=O)N2)C(=O)C3=CC=CC=C3Cl)O)C
InChI
InChI=1S/C18H14ClNO3/c1-9-7-10(2)15-12(8-9)17(22)14(18(23)20-15)16(21)11-5-3-4-6-13(11)19/h3-8H,1-2H3,(H2,20,22,23)
InChIKey
VMKZATFHDNKIHI-UHFFFAOYSA-N
Compound name
3-(2-chlorobenzoyl)-4-hydroxy-6,8-dimethyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

327.06622 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.073496 171.9
[M+Na]+ 350.055438 183.5
[M-H]- 326.058944 176.7
[M+NH4]+ 345.100043 185.8
[M+K]+ 366.029378 176.1
[M+H-H2O]+ 310.063480 164.9
[M+HCOO]- 372.064421 185.7
[M+CH3COO]- 386.080071 206.1
[M+Na-2H]- 348.040886 174.3
[M]+ 327.06567142 175.0
[M]- 327.06676858 175.0
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