CID 6862358

4813-11-0

Structural Information

Molecular Formula

C₁₅H₁₃N₃O

SMILES

C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC=NC=C2

InChI

InChI=1S/C15H13N3O/c19-15(14-8-11-16-12-9-14)18-17-10-4-7-13-5-2-1-3-6-13/h1-12H,(H,18,19)/b7-4+,17-10+

InChIKey

IZMVXNJRIXIGGM-CUQLSPFUSA-N

Compound name

N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 5
Patents: 251.10587 Da
Monoisotopic Mass: 2.2
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]+	252.11315	158.6
[M+Na]+	274.09509	171.5
[M+NH4]+	269.13969	166.1
[M+K]+	290.06903	163.2
[M-H]-	250.09859	163.4
[M+Na-2H]-	272.08054	168.4
[M]+	251.10532	161.6
[M]-	251.10642	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe