CID 61151531

1251354-35-4

Structural Information

Molecular Formula

C₁₄H₁₆N₂

SMILES

C1=CC=C(C=C1)C(CNC2=CC=CC=C2)N

InChI

InChI=1S/C14H16N2/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10,14,16H,11,15H2

InChIKey

ZORMNFOQTHQKTD-UHFFFAOYSA-N

Compound name

N',1-diphenylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.13135 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]+	213.13863	147.6
[M+Na]+	235.12057	152.2
[M-H]-	211.12407	153.3
[M+NH4]+	230.16517	164.8
[M+K]+	251.09451	148.3
[M+H-H2O]+	195.12861	139.8
[M+HCOO]-	257.12955	172.4
[M+CH3COO]-	271.14520	192.1
[M+Na-2H]-	233.10602	154.3
[M]+	212.13080	143.7
[M]-	212.13190	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe