CID 5369858

Stk055900

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

C/C(=N\NC(=O)C1=CC=NC=C1)/CC(=O)C

InChI

InChI=1S/C11H13N3O2/c1-8(7-9(2)15)13-14-11(16)10-3-5-12-6-4-10/h3-6H,7H2,1-2H3,(H,14,16)/b13-8+

InChIKey

ZCQNZSDBAMZCED-MDWZMJQESA-N

Compound name

N-[(E)-4-oxopentan-2-ylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 219.10077 Da
Monoisotopic Mass: 0.2
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]+	220.10805	149.1
[M+Na]+	242.08999	154.5
[M-H]-	218.09349	152.5
[M+NH4]+	237.13459	165.9
[M+K]+	258.06393	153.5
[M+H-H2O]+	202.09803	141.2
[M+HCOO]-	264.09897	173.4
[M+CH3COO]-	278.11462	195.1
[M+Na-2H]-	240.07544	153.9
[M]+	219.10022	149.4
[M]-	219.10132	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe