CID 459670

4-(anilinomethyl)carbostyril

Structural Information

Molecular Formula

C₁₆H₁₄N₂O

SMILES

C1=CC=C(C=C1)NCC2=CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C16H14N2O/c19-16-10-12(11-17-13-6-2-1-3-7-13)14-8-4-5-9-15(14)18-16/h1-10,17H,11H2,(H,18,19)

InChIKey

NPNRWHULIRHMSN-UHFFFAOYSA-N

Compound name

4-(anilinomethyl)-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 250.11061 Da
Monoisotopic Mass: 2.4
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]+	251.117886	154.6
[M+Na]+	273.099828	162.6
[M-H]-	249.103334	159.6
[M+NH4]+	268.144433	170.2
[M+K]+	289.073768	156.2
[M+H-H2O]+	233.107870	146.0
[M+HCOO]-	295.108811	176.6
[M+CH3COO]-	309.124461	166.3
[M+Na-2H]-	271.085276	163.5
[M]+	250.11006142	152.5
[M]-	250.11115858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe