CID 5976263

Benzaldehyde, 2-ethoxy-, (5-nitro-2-pyridyl)hydrazone

Structural Information

Molecular Formula

C₁₄H₁₄N₄O₃

SMILES

CCOC1=CC=CC=C1/C=N\NC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O3/c1-2-21-13-6-4-3-5-11(13)9-16-17-14-8-7-12(10-15-14)18(19)20/h3-10H,2H2,1H3,(H,15,17)/b16-9-

InChIKey

JGIOVVVMPBCGGA-SXGWCWSVSA-N

Compound name

N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.1066 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]+	287.113876	162.0
[M+Na]+	309.095818	167.5
[M-H]-	285.099324	168.7
[M+NH4]+	304.140423	175.1
[M+K]+	325.069758	160.5
[M+H-H2O]+	269.103860	156.8
[M+HCOO]-	331.104801	189.9
[M+CH3COO]-	345.120451	201.2
[M+Na-2H]-	307.081266	171.4
[M]+	286.10605142	162.0
[M]-	286.10714858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.