CID 5929136

54-00-2

Structural Information

Molecular Formula

C₁₇H₁₄N₂

SMILES

C1=CC=C2C(=C1)C(=CC=N2)/C=C/C3=CC=C(C=C3)N

InChI

InChI=1S/C17H14N2/c18-15-9-6-13(7-10-15)5-8-14-11-12-19-17-4-2-1-3-16(14)17/h1-12H,18H2/b8-5+

InChIKey

ZAEBBDZNEDAXHL-VMPITWQZSA-N

Compound name

4-[(E)-2-quinolin-4-ylethenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.11569 Da
Monoisotopic Mass: 3.8
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]+	247.12297	156.4
[M+Na]+	269.10491	164.6
[M-H]-	245.10841	162.1
[M+NH4]+	264.14951	172.7
[M+K]+	285.07885	157.9
[M+H-H2O]+	229.11295	147.7
[M+HCOO]-	291.11389	178.8
[M+CH3COO]-	305.12954	168.2
[M+Na-2H]-	267.09036	164.1
[M]+	246.11514	154.0
[M]-	246.11624	154.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.