CID 257981

N,n'-dimethylbenzidine

Structural Information

Molecular Formula

C₁₄H₁₆N₂

SMILES

CNC1=CC=C(C=C1)C2=CC=C(C=C2)NC

InChI

InChI=1S/C14H16N2/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12/h3-10,15-16H,1-2H3

InChIKey

JGGQWILNAAODRS-UHFFFAOYSA-N

Compound name

N-methyl-4-[4-(methylamino)phenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 933
Patents: 212.13135 Da
Monoisotopic Mass: 4.3
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	147.0
[M+Na]+	235.12057	153.9
[M-H]-	211.12407	154.0
[M+NH4]+	230.16517	165.3
[M+K]+	251.09451	149.8
[M+H-H2O]+	195.12861	139.5
[M+HCOO]-	257.12955	173.5
[M+CH3COO]-	271.14520	194.1
[M+Na-2H]-	233.10602	154.5
[M]+	212.13080	145.5
[M]-	212.13190	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe