CID 75533

65122-44-3

Structural Information

Molecular Formula

C₁₂H₁₃N₅

SMILES

C1=CC(=CC(=C1)N=NC2=C(C=C(C=C2)N)N)N

InChI

InChI=1S/C12H13N5/c13-8-2-1-3-10(6-8)16-17-12-5-4-9(14)7-11(12)15/h1-7H,13-15H2

InChIKey

GHXFKDSKIJTDIO-UHFFFAOYSA-N

Compound name

4-[(3-aminophenyl)diazenyl]benzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 227.1171 Da
Monoisotopic Mass: 1.7
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]+	228.12438	148.2
[M+Na]+	250.10632	155.6
[M-H]-	226.10982	157.0
[M+NH4]+	245.15092	165.6
[M+K]+	266.08026	152.4
[M+H-H2O]+	210.11436	139.6
[M+HCOO]-	272.11530	179.6
[M+CH3COO]-	286.13095	206.6
[M+Na-2H]-	248.09177	155.0
[M]+	227.11655	144.4
[M]-	227.11765	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe