CID 44246135

Chembl573599

Structural Information

Molecular Formula

C₁₂H₁₅N₃O

SMILES

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

InChI

InChI=1S/C12H15N3O/c1-2-3-4-5-8-14-15-12(16)11-6-9-13-10-7-11/h4-10H,2-3H2,1H3,(H,15,16)/b5-4+,14-8+

InChIKey

DGWGOFAOVAFLLG-DLBFRJOTSA-N

Compound name

N-[(E)-[(E)-hex-2-enylidene]amino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 217.1215 Da
Monoisotopic Mass: 1.9
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]+	218.128776	150.1
[M+Na]+	240.110718	155.7
[M-H]-	216.114224	153.1
[M+NH4]+	235.155323	167.2
[M+K]+	256.084658	152.9
[M+H-H2O]+	200.118760	141.9
[M+HCOO]-	262.119701	175.8
[M+CH3COO]-	276.135351	193.6
[M+Na-2H]-	238.096166	156.7
[M]+	217.12095142	150.4
[M]-	217.12204858	150.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.