CID 6512079

Nsc625539

Structural Information

Molecular Formula

C₁₇H₁₄N₄

SMILES

C1=CC=C(C=C1)/C(=N\NC2=CC=CC=N2)/C3=CC=CC=N3

InChI

InChI=1S/C17H14N4/c1-2-8-14(9-3-1)17(15-10-4-6-12-18-15)21-20-16-11-5-7-13-19-16/h1-13H,(H,19,20)/b21-17+

InChIKey

ZFZHDOZUCPKKKI-HEHNFIMWSA-N

Compound name

N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 274.12186 Da
Monoisotopic Mass: 3.9
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]+	275.129136	161.8
[M+Na]+	297.111078	167.1
[M-H]-	273.114584	169.4
[M+NH4]+	292.155683	173.9
[M+K]+	313.085018	161.7
[M+H-H2O]+	257.119120	150.4
[M+HCOO]-	319.120061	186.4
[M+CH3COO]-	333.135711	172.6
[M+Na-2H]-	295.096526	171.5
[M]+	274.12131142	159.2
[M]-	274.12240858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe