CID 570179

2-benzoyl-5,6,7,8-tetrahydroquinoxaline

Structural Information

Molecular Formula

C₁₅H₁₄N₂O

SMILES

C1CCC2=NC(=CN=C2C1)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H14N2O/c18-15(11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)17-14/h1-3,6-7,10H,4-5,8-9H2

InChIKey

CXVMUEGZDUSYRD-UHFFFAOYSA-N

Compound name

phenyl(5,6,7,8-tetrahydroquinoxalin-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.11061 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]+	239.117886	153.5
[M+Na]+	261.099828	159.9
[M-H]-	237.103334	157.5
[M+NH4]+	256.144433	168.6
[M+K]+	277.073768	155.3
[M+H-H2O]+	221.107870	143.9
[M+HCOO]-	283.108811	171.1
[M+CH3COO]-	297.124461	164.4
[M+Na-2H]-	259.085276	160.3
[M]+	238.11006142	150.1
[M]-	238.11115858	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe