CID 9561276

P-tolualdehyde, (5-nitro-2-pyridyl)hydrazone

Structural Information

Molecular Formula

C₁₃H₁₂N₄O₂

SMILES

CC1=CC=C(C=C1)/C=N/NC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O2/c1-10-2-4-11(5-3-10)8-15-16-13-7-6-12(9-14-13)17(18)19/h2-9H,1H3,(H,14,16)/b15-8+

InChIKey

NJBCCVUXKPILEC-OVCLIPMQSA-N

Compound name

N-[(E)-(4-methylphenyl)methylideneamino]-5-nitropyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 256.09604 Da
Monoisotopic Mass: 3.0
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]+	257.103316	154.4
[M+Na]+	279.085258	160.6
[M-H]-	255.088764	161.3
[M+NH4]+	274.129863	168.9
[M+K]+	295.059198	153.2
[M+H-H2O]+	239.093300	149.7
[M+HCOO]-	301.094241	182.5
[M+CH3COO]-	315.109891	196.1
[M+Na-2H]-	277.070706	164.2
[M]+	256.09549142	152.8
[M]-	256.09658858	152.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.