CID 117897

26942-57-4

Structural Information

Molecular Formula

C₁₈H₁₄N₂O₂

SMILES

CC1=CC=C(C=C1)C(=O)C=NC2=C3C=CC=NC3=C(C=C2)O

InChI

InChI=1S/C18H14N2O2/c1-12-4-6-13(7-5-12)17(22)11-20-15-8-9-16(21)18-14(15)3-2-10-19-18/h2-11,21H,1H3

InChIKey

OLRLYEDWHXAVAL-UHFFFAOYSA-N

Compound name

2-(8-hydroxyquinolin-5-yl)imino-1-(4-methylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 290.10553 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]+	291.112806	166.6
[M+Na]+	313.094748	174.9
[M-H]-	289.098254	173.1
[M+NH4]+	308.139353	181.3
[M+K]+	329.068688	169.6
[M+H-H2O]+	273.102790	157.4
[M+HCOO]-	335.103731	188.8
[M+CH3COO]-	349.119381	205.5
[M+Na-2H]-	311.080196	172.8
[M]+	290.10498142	167.4
[M]-	290.10607858	167.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe