CID 3018116

71411-90-0

Structural Information

Molecular Formula

C₁₃H₁₅N₃

SMILES

C1=CC(=CC=C1CNC2=CC=C(C=C2)N)N

InChI

InChI=1S/C13H15N3/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,16H,9,14-15H2

InChIKey

ZQMZIOUGOZDCNR-UHFFFAOYSA-N

Compound name

4-N-[(4-aminophenyl)methyl]benzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 383
Patents: 213.1266 Da
Monoisotopic Mass: 1.8
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]+	214.133876	146.4
[M+Na]+	236.115818	153.0
[M-H]-	212.119324	152.5
[M+NH4]+	231.160423	163.7
[M+K]+	252.089758	148.4
[M+H-H2O]+	196.123860	138.8
[M+HCOO]-	258.124801	173.0
[M+CH3COO]-	272.140451	195.0
[M+Na-2H]-	234.101266	152.8
[M]+	213.12605142	142.0
[M]-	213.12714858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe