CID 145913229

2248127-12-8

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₂

SMILES

COC1=CC=C(C=C1)CN2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C16H16N2O2/c1-20-13-8-6-12(7-9-13)10-18-11-16(19)17-14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,17,19)

InChIKey

FSWLKKANXYIXLT-UHFFFAOYSA-N

Compound name

4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.1212 Da
Monoisotopic Mass: 2.5
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]+	269.128476	162.2
[M+Na]+	291.110418	169.7
[M-H]-	267.113924	165.3
[M+NH4]+	286.155023	176.0
[M+K]+	307.084358	164.2
[M+H-H2O]+	251.118460	152.8
[M+HCOO]-	313.119401	179.1
[M+CH3COO]-	327.135051	172.6
[M+Na-2H]-	289.095866	167.7
[M]+	268.12065142	160.2
[M]-	268.12174858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe