CID 101486

7385-99-1

Structural Information

Molecular Formula

C₁₅H₁₂N₄

SMILES

C1=CC=C2C(=C1)C=CC(=N2)NN=CC3=CC=CC=N3

InChI

InChI=1S/C15H12N4/c1-2-7-14-12(5-1)8-9-15(18-14)19-17-11-13-6-3-4-10-16-13/h1-11H,(H,18,19)

InChIKey

RQKUHYQNHJJIFO-UHFFFAOYSA-N

Compound name

N-(pyridin-2-ylmethylideneamino)quinolin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 70
Patents: 248.1062 Da
Monoisotopic Mass: 3.4
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]+	249.11348	153.6
[M+Na]+	271.09542	161.2
[M-H]-	247.09892	159.5
[M+NH4]+	266.14002	168.6
[M+K]+	287.06936	155.8
[M+H-H2O]+	231.10346	143.3
[M+HCOO]-	293.10440	178.5
[M+CH3COO]-	307.12005	165.5
[M+Na-2H]-	269.08087	165.4
[M]+	248.10565	152.7
[M]-	248.10675	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe