CID 20119898

104226-31-5

Structural Information

Molecular Formula

C₁₄H₁₆N₂

SMILES

CN(CC1=CC=CC=C1)C2=CC=C(C=C2)N

InChI

InChI=1S/C14H16N2/c1-16(11-12-5-3-2-4-6-12)14-9-7-13(15)8-10-14/h2-10H,11,15H2,1H3

InChIKey

IHDXFVHLQONBFX-UHFFFAOYSA-N

Compound name

4-N-benzyl-4-N-methylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 212.13135 Da
Monoisotopic Mass: 3.5
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]+	213.13863	147.9
[M+Na]+	235.12057	154.0
[M-H]-	211.12407	155.4
[M+NH4]+	230.16517	166.2
[M+K]+	251.09451	150.9
[M+H-H2O]+	195.12861	140.0
[M+HCOO]-	257.12955	174.3
[M+CH3COO]-	271.14520	195.7
[M+Na-2H]-	233.10602	154.3
[M]+	212.13080	146.2
[M]-	212.13190	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe