CID 9568164

6342-48-9

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₂

SMILES

COC1=CC=CC=C1/C=N/NC(=O)C2=CC=NC=C2

InChI

InChI=1S/C14H13N3O2/c1-19-13-5-3-2-4-12(13)10-16-17-14(18)11-6-8-15-9-7-11/h2-10H,1H3,(H,17,18)/b16-10+

InChIKey

UGMKEUQMBKSHCP-MHWRWJLKSA-N

Compound name

N-[(E)-(2-methoxyphenyl)methylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 5
Patents: 255.10077 Da
Monoisotopic Mass: 1.7
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]+	256.108046	156.5
[M+Na]+	278.089988	163.0
[M-H]-	254.093494	163.1
[M+NH4]+	273.134593	171.7
[M+K]+	294.063928	160.1
[M+H-H2O]+	238.098030	147.1
[M+HCOO]-	300.098971	182.9
[M+CH3COO]-	314.114621	200.2
[M+Na-2H]-	276.075436	164.1
[M]+	255.10022142	157.5
[M]-	255.10131858	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe