CID 135687091

90182-10-8

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	310.107376	169.6
[M+Na]+	332.089318	178.3
[M-H]-	308.092824	173.8
[M+NH4]+	327.133923	182.5
[M+K]+	348.063258	172.9
[M+H-H2O]+	292.097360	161.1
[M+HCOO]-	354.098301	188.0
[M+CH3COO]-	368.113951	202.1
[M+Na-2H]-	330.074766	173.8
[M]+	309.09955142	170.8
[M]-	309.10064858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe