CID 198324

53944-40-4

Structural Information

Molecular Formula

C₁₄H₉NO₃

SMILES

CC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=CC=N3

InChI

InChI=1S/C14H9NO3/c1-8(16)9-4-5-12-11(7-9)13(17)10-3-2-6-15-14(10)18-12/h2-7H,1H3

InChIKey

ZYGDCOJTJFQANG-UHFFFAOYSA-N

Compound name

7-acetylchromeno[2,3-b]pyridin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 239.05824 Da
Monoisotopic Mass: 1.9
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]+	240.06552	147.9
[M+Na]+	262.04746	165.5
[M+NH4]+	257.09206	156.8
[M+K]+	278.02140	158.1
[M-H]-	238.05096	152.3
[M+Na-2H]-	260.03291	155.8
[M]+	239.05769	151.9
[M]-	239.05879	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe