CID 6410803

Cm 30099

Structural Information

Molecular Formula

C₁₃H₁₆N₄

SMILES

CC1=CC(=NN=C1NCCN)C2=CC=CC=C2

InChI

InChI=1S/C13H16N4/c1-10-9-12(11-5-3-2-4-6-11)16-17-13(10)15-8-7-14/h2-6,9H,7-8,14H2,1H3,(H,15,17)

InChIKey

IAMNQWPFFLMKPU-UHFFFAOYSA-N

Compound name

N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 228.1375 Da
Monoisotopic Mass: 1.4
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]+	229.14478	152.7
[M+Na]+	251.12672	166.3
[M+NH4]+	246.17132	160.6
[M+K]+	267.10066	158.7
[M-H]-	227.13022	157.5
[M+Na-2H]-	249.11217	162.2
[M]+	228.13695	155.9
[M]-	228.13805	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe