CID 54720991

4-hydroxy-1,7-naphthyridin-2(1h)-one

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=CN=CC2=C1C(=CC(=O)N2)O

InChI

InChI=1S/C8H6N2O2/c11-7-3-8(12)10-6-4-9-2-1-5(6)7/h1-4H,(H2,10,11,12)

InChIKey

KIUIMHFSJVDAKN-UHFFFAOYSA-N

Compound name

4-hydroxy-1H-1,7-naphthyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 59
Patents: 162.04292 Da
Monoisotopic Mass: -0.4
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]+	163.05020	130.1
[M+Na]+	185.03214	144.6
[M+NH4]+	180.07674	138.0
[M+K]+	201.00608	138.6
[M-H]-	161.03564	130.8
[M+Na-2H]-	183.01759	137.0
[M]+	162.04237	132.2
[M]-	162.04347	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe