CID 5374405

51420-71-4

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CC1=CC(=NC2=C1C=CC(=O)N2)C

InChI

InChI=1S/C10H10N2O/c1-6-5-7(2)11-10-8(6)3-4-9(13)12-10/h3-5H,1-2H3,(H,11,12,13)

InChIKey

MSEDGUHRFPAFFW-UHFFFAOYSA-N

Compound name

5,7-dimethyl-1H-1,8-naphthyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 174.07932 Da
Monoisotopic Mass: 1.4
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]+	175.086596	135.0
[M+Na]+	197.068538	146.2
[M-H]-	173.072044	136.4
[M+NH4]+	192.113143	153.7
[M+K]+	213.042478	141.9
[M+H-H2O]+	157.076580	128.2
[M+HCOO]-	219.077521	155.4
[M+CH3COO]-	233.093171	179.2
[M+Na-2H]-	195.053986	143.4
[M]+	174.07877142	135.1
[M]-	174.07986858	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe