CID 239669

91396-85-9

Structural Information

Molecular Formula

C₁₂H₁₁N₃

SMILES

C1=CC=C(C=C1)C(=NN)C2=CC=NC=C2

InChI

InChI=1S/C12H11N3/c13-15-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-9H,13H2

InChIKey

VUPUTOGGTDBQIW-UHFFFAOYSA-N

Compound name

[phenyl(pyridin-4-yl)methylidene]hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 197.09529 Da
Monoisotopic Mass: 1.9
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]+	198.10257	142.0
[M+Na]+	220.08451	148.3
[M-H]-	196.08801	148.1
[M+NH4]+	215.12911	159.2
[M+K]+	236.05845	144.9
[M+H-H2O]+	180.09255	133.4
[M+HCOO]-	242.09349	167.9
[M+CH3COO]-	256.10914	189.7
[M+Na-2H]-	218.06996	150.4
[M]+	197.09474	139.0
[M]-	197.09584	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe