CID 135687087

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

Structural Information

Molecular Formula
C18H15NO3
SMILES
CC1=CC(=C2C(=C1)C(=C(C(=O)N2)C(=O)C3=CC=CC=C3)O)C
InChI
InChI=1S/C18H15NO3/c1-10-8-11(2)15-13(9-10)17(21)14(18(22)19-15)16(20)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,19,21,22)
InChIKey
QUEVDFUKZSPAFK-UHFFFAOYSA-N
Compound name
3-benzoyl-4-hydroxy-6,8-dimethyl-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 166.5
[M+Na]+ 316.09442 176.4
[M-H]- 292.09792 171.2
[M+NH4]+ 311.13902 180.6
[M+K]+ 332.06836 170.4
[M+H-H2O]+ 276.10246 158.6
[M+HCOO]- 338.10340 184.8
[M+CH3COO]- 352.11905 201.2
[M+Na-2H]- 314.07987 170.0
[M]+ 293.10465 166.8
[M]- 293.10575 166.8
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