CID 2864430

S136492

Structural Information

Molecular Formula

C₁₇H₁₃NO

SMILES

C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CC=CC=C3O

InChI

InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,19H

InChIKey

NXNDEWNGCMCWMA-UHFFFAOYSA-N

Compound name

2-(2-quinolin-2-ylethenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 29
Patents: 247.09972 Da
Monoisotopic Mass: 4.1
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]+	248.10700	156.9
[M+Na]+	270.08894	174.0
[M+NH4]+	265.13354	166.5
[M+K]+	286.06288	164.2
[M-H]-	246.09244	162.2
[M+Na-2H]-	268.07439	167.3
[M]+	247.09917	161.1
[M]-	247.10027	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe