CID 135687091

3-(2-ethoxybenzoyl)-4-hydroxy-2(1h)-quinolinone

Structural Information

Molecular Formula
C18H15NO4
SMILES
CCOC1=CC=CC=C1C(=O)C2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C18H15NO4/c1-2-23-14-10-6-4-8-12(14)17(21)15-16(20)11-7-3-5-9-13(11)19-18(15)22/h3-10H,2H2,1H3,(H2,19,20,22)
InChIKey
JNAXUGHRLSUKFH-UHFFFAOYSA-N
Compound name
3-(2-ethoxybenzoyl)-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.1001 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 169.6
[M+Na]+ 332.08932 178.3
[M-H]- 308.09282 173.8
[M+NH4]+ 327.13392 182.5
[M+K]+ 348.06326 172.9
[M+H-H2O]+ 292.09736 161.1
[M+HCOO]- 354.09830 188.0
[M+CH3COO]- 368.11395 202.1
[M+Na-2H]- 330.07477 173.8
[M]+ 309.09955 170.8
[M]- 309.10065 170.8
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