CID 54720991

1,7-naphthyridine-2,4-diol

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: 63
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	129.5
[M+Na]+	185.03214	140.1
[M-H]-	161.03564	129.5
[M+NH4]+	180.07674	147.6
[M+K]+	201.00608	135.9
[M+H-H2O]+	145.04018	123.0
[M+HCOO]-	207.04112	149.3
[M+CH3COO]-	221.05677	142.7
[M+Na-2H]-	183.01759	139.2
[M]+	162.04237	128.1
[M]-	162.04347	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe