CID 95250

729-43-1

Structural Information

Molecular Formula

C₁₆H₁₆N₂

SMILES

CC(=NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2/c1-13(15-9-5-3-6-10-15)17-18-14(2)16-11-7-4-8-12-16/h3-12H,1-2H3

InChIKey

MOKMQSIJAHPSQX-UHFFFAOYSA-N

Compound name

1-phenyl-N-(1-phenylethylideneamino)ethanimine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 44
Patents: 236.13135 Da
Monoisotopic Mass: 3.7
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]+	237.138626	155.4
[M+Na]+	259.120568	160.4
[M-H]-	235.124074	164.2
[M+NH4]+	254.165173	173.2
[M+K]+	275.094508	157.5
[M+H-H2O]+	219.128610	146.7
[M+HCOO]-	281.129551	182.5
[M+CH3COO]-	295.145201	201.7
[M+Na-2H]-	257.106016	161.6
[M]+	236.13080142	154.6
[M]-	236.13189858	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe