CID 459611

13425-93-9

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

COC1=C(C=C2C(=C1)C(=O)C=CN2)OC

InChI

InChI=1S/C11H11NO3/c1-14-10-5-7-8(6-11(10)15-2)12-4-3-9(7)13/h3-6H,1-2H3,(H,12,13)

InChIKey

QOGPNCUTXVZQSL-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 637
Patents: 205.0739 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]+	206.08118	141.4
[M+Na]+	228.06312	156.0
[M+NH4]+	223.10772	149.5
[M+K]+	244.03706	149.5
[M-H]-	204.06662	143.0
[M+Na-2H]-	226.04857	148.0
[M]+	205.07335	143.9
[M]-	205.07445	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe