CID 3810484

5220-83-7

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O

SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)N

InChI

InChI=1S/C15H11ClN2O/c16-10-6-7-12-11(8-10)13(14(17)15(19)18-12)9-4-2-1-3-5-9/h1-8H,17H2,(H,18,19)

InChIKey

DTVBJIVUGSOZDZ-UHFFFAOYSA-N

Compound name

3-amino-6-chloro-4-phenyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 270.056 Da
Monoisotopic Mass: 2.7
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]+	271.06328	158.4
[M+Na]+	293.04522	175.8
[M+NH4]+	288.08982	167.8
[M+K]+	309.01916	166.6
[M-H]-	269.04872	164.0
[M+Na-2H]-	291.03067	168.0
[M]+	270.05545	162.9
[M]-	270.05655	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe