CID 5273855

Schembl7694669

Structural Information

Molecular Formula

C₁₉H₁₄N₂

SMILES

CC1=CC=C(C=C1)C2=NC3=CC4=CC=CC=C4C=C3N=C2

InChI

InChI=1S/C19H14N2/c1-13-6-8-14(9-7-13)19-12-20-17-10-15-4-2-3-5-16(15)11-18(17)21-19/h2-12H,1H3

InChIKey

AUDOXOUHJZRPSX-UHFFFAOYSA-N

Compound name

3-(4-methylphenyl)benzo[g]quinoxaline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 270.1157 Da
Monoisotopic Mass: 4.1
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]+	271.12298	163.2
[M+Na]+	293.10492	174.2
[M-H]-	269.10842	169.4
[M+NH4]+	288.14952	178.7
[M+K]+	309.07886	166.7
[M+H-H2O]+	253.11296	152.9
[M+HCOO]-	315.11390	183.8
[M+CH3COO]-	329.12955	175.3
[M+Na-2H]-	291.09037	173.4
[M]+	270.11515	164.6
[M]-	270.11625	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe