CID 79290789

4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂O

SMILES

C1C(=O)NC2=CC=CC=C2N1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H11ClN2O/c15-10-5-7-11(8-6-10)17-9-14(18)16-12-3-1-2-4-13(12)17/h1-8H,9H2,(H,16,18)

InChIKey

NWDMSJDFXYPVAI-UHFFFAOYSA-N

Compound name

4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.056 Da
Monoisotopic Mass: 3.2
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]+	259.063276	155.9
[M+Na]+	281.045218	165.3
[M-H]-	257.048724	159.1
[M+NH4]+	276.089823	171.1
[M+K]+	297.019158	158.1
[M+H-H2O]+	241.053260	147.6
[M+HCOO]-	303.054201	168.7
[M+CH3COO]-	317.069851	167.0
[M+Na-2H]-	279.030666	162.0
[M]+	258.05545142	154.0
[M]-	258.05654858	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.