CID 66869

101-64-4

Structural Information

Molecular Formula

C₁₃H₁₄N₂O

SMILES

COC1=CC=C(C=C1)NC2=CC=C(C=C2)N

InChI

InChI=1S/C13H14N2O/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-9,15H,14H2,1H3

InChIKey

RBLUJIWKMSZIMK-UHFFFAOYSA-N

Compound name

4-N-(4-methoxyphenyl)benzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 907
Patents: 214.11061 Da
Monoisotopic Mass: 2.5
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]+	215.11789	147.9
[M+Na]+	237.09983	161.5
[M+NH4]+	232.14443	157.0
[M+K]+	253.07377	153.9
[M-H]-	213.10333	154.0
[M+Na-2H]-	235.08528	157.9
[M]+	214.11006	151.6
[M]-	214.11116	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe