CID 135401669

179684-25-4

Structural Information

Molecular Formula

C₁₆H₁₆N₂

SMILES

C1CC(=NCC2=CC=CC=C2)NC3=CC=CC=C31

InChI

InChI=1S/C16H16N2/c1-2-6-13(7-3-1)12-17-16-11-10-14-8-4-5-9-15(14)18-16/h1-9H,10-12H2,(H,17,18)

InChIKey

YKMCNRXDJMXRJR-UHFFFAOYSA-N

Compound name

N-benzyl-3,4-dihydro-1H-quinolin-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 236.13135 Da
Monoisotopic Mass: 2.8
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]+	237.13863	152.8
[M+Na]+	259.12057	158.4
[M-H]-	235.12407	158.0
[M+NH4]+	254.16517	169.3
[M+K]+	275.09451	152.6
[M+H-H2O]+	219.12861	143.9
[M+HCOO]-	281.12955	173.3
[M+CH3COO]-	295.14520	163.9
[M+Na-2H]-	257.10602	160.8
[M]+	236.13080	147.7
[M]-	236.13190	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe