CID 54697294

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

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

4
Patents

327.06622 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07350 171.9
[M+Na]+ 350.05544 183.5
[M-H]- 326.05894 176.7
[M+NH4]+ 345.10004 185.8
[M+K]+ 366.02938 176.1
[M+H-H2O]+ 310.06348 164.9
[M+HCOO]- 372.06442 185.7
[M+CH3COO]- 386.08007 206.1
[M+Na-2H]- 348.04089 174.3
[M]+ 327.06567 175.0
[M]- 327.06677 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