CID 6475238

Chembl170778

Structural Information

Molecular Formula

C₂₀H₁₄N₂

SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H14N2/c1-3-7-19-15(5-1)9-11-17(21-19)13-14-18-12-10-16-6-2-4-8-20(16)22-18/h1-14H/b14-13+

InChIKey

QEDUGYICAASIKG-BUHFOSPRSA-N

Compound name

2-[(E)-2-quinolin-2-ylethenyl]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 282.1157 Da
Monoisotopic Mass: 5.0
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]+	283.12298	166.4
[M+Na]+	305.10492	176.4
[M-H]-	281.10842	172.0
[M+NH4]+	300.14952	181.1
[M+K]+	321.07886	168.1
[M+H-H2O]+	265.11296	155.8
[M+HCOO]-	327.11390	186.8
[M+CH3COO]-	341.12955	177.8
[M+Na-2H]-	303.09037	176.8
[M]+	282.11515	166.9
[M]-	282.11625	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe