CID 9574334

N'-(4-nitrobenzyliden)-2-pyridincarboxyamidrazone

Structural Information

Molecular Formula

C₁₃H₁₁N₅O₂

SMILES

C1=CC=NC(=C1)/C(=N/N=C/C2=CC=C(C=C2)[N+](=O)[O-])/N

InChI

InChI=1S/C13H11N5O2/c14-13(12-3-1-2-8-15-12)17-16-9-10-4-6-11(7-5-10)18(19)20/h1-9H,(H2,14,17)/b16-9+

InChIKey

IQWMWSXOLCLEHD-CXUHLZMHSA-N

Compound name

N'-[(E)-(4-nitrophenyl)methylideneamino]pyridine-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 269.09128 Da
Monoisotopic Mass: 1.8
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]+	270.098556	156.3
[M+Na]+	292.080498	161.1
[M-H]-	268.084004	163.7
[M+NH4]+	287.125103	169.9
[M+K]+	308.054438	154.2
[M+H-H2O]+	252.088540	150.9
[M+HCOO]-	314.089481	185.4
[M+CH3COO]-	328.105131	200.9
[M+Na-2H]-	290.065946	165.7
[M]+	269.09073142	153.0
[M]-	269.09182858	153.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.