CID 6909532

Niazid 4acnphch

Structural Information

Molecular Formula

C₁₅H₁₄N₄O₂

SMILES

CC(=O)NC1=CC=C(C=C1)/C=N/NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C15H14N4O2/c1-11(20)18-14-6-4-12(5-7-14)9-17-19-15(21)13-3-2-8-16-10-13/h2-10H,1H3,(H,18,20)(H,19,21)/b17-9+

InChIKey

VYKMDAMZGBOXTL-RQZCQDPDSA-N

Compound name

N-[(E)-(4-acetamidophenyl)methylideneamino]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.11166 Da
Monoisotopic Mass: 1.1
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]+	283.118936	164.0
[M+Na]+	305.100878	169.3
[M-H]-	281.104384	170.6
[M+NH4]+	300.145483	177.7
[M+K]+	321.074818	166.2
[M+H-H2O]+	265.108920	154.3
[M+HCOO]-	327.109861	190.4
[M+CH3COO]-	341.125511	207.8
[M+Na-2H]-	303.086326	170.4
[M]+	282.11111142	163.3
[M]-	282.11220858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.