CID 54697129

22048-12-0

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

CCC1=C(C2=C(C=C(C=C2)OC)NC1=O)O

InChI

InChI=1S/C12H13NO3/c1-3-8-11(14)9-5-4-7(16-2)6-10(9)13-12(8)15/h4-6H,3H2,1-2H3,(H2,13,14,15)

InChIKey

YKDQPUXVFDARIG-UHFFFAOYSA-N

Compound name

3-ethyl-4-hydroxy-7-methoxy-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 219.08954 Da
Monoisotopic Mass: 1.5
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]+	220.09682	145.6
[M+Na]+	242.07876	156.2
[M-H]-	218.08226	147.2
[M+NH4]+	237.12336	163.3
[M+K]+	258.05270	152.0
[M+H-H2O]+	202.08680	139.5
[M+HCOO]-	264.08774	165.5
[M+CH3COO]-	278.10339	185.5
[M+Na-2H]-	240.06421	151.8
[M]+	219.08899	147.4
[M]-	219.09009	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe