CID 135783091

Jpo 7

Structural Information

Molecular Formula

C₁₂H₈N₄O

SMILES

C1=CC(=CN=C1)C2=NC3=C(C=CC=N3)C(=O)N2

InChI

InChI=1S/C12H8N4O/c17-12-9-4-2-6-14-11(9)15-10(16-12)8-3-1-5-13-7-8/h1-7H,(H,14,15,16,17)

InChIKey

ZKLWJSLDNKUFSJ-UHFFFAOYSA-N

Compound name

2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.06981 Da
Monoisotopic Mass: 0.5
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]+	225.07709	149.3
[M+Na]+	247.05903	160.0
[M-H]-	223.06253	150.6
[M+NH4]+	242.10363	162.0
[M+K]+	263.03297	153.5
[M+H-H2O]+	207.06707	139.1
[M+HCOO]-	269.06801	167.3
[M+CH3COO]-	283.08366	160.7
[M+Na-2H]-	245.04448	159.7
[M]+	224.06926	147.9
[M]-	224.07036	147.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.