CID 345685

N,2-diphenylglycinonitrile

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

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

InChI

InChI=1S/C14H12N2/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10,14,16H

InChIKey

XOMUKMGWTCEDRE-UHFFFAOYSA-N

Compound name

2-anilino-2-phenylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 208.10005 Da
Monoisotopic Mass: 3.4
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]+	209.10733	152.4
[M+Na]+	231.08927	160.5
[M-H]-	207.09277	157.1
[M+NH4]+	226.13387	168.2
[M+K]+	247.06321	154.8
[M+H-H2O]+	191.09731	138.4
[M+HCOO]-	253.09825	172.7
[M+CH3COO]-	267.11390	162.9
[M+Na-2H]-	229.07472	158.3
[M]+	208.09950	144.9
[M]-	208.10060	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe