CID 345194

2,3-diphenyl-6-nitroquinoxaline

Structural Information

Molecular Formula

C₂₀H₁₃N₃O₂

SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C4=CC=CC=C4

InChI

InChI=1S/C20H13N3O2/c24-23(25)16-11-12-17-18(13-16)22-20(15-9-5-2-6-10-15)19(21-17)14-7-3-1-4-8-14/h1-13H

InChIKey

QSJFEWWENJXUCR-UHFFFAOYSA-N

Compound name

6-nitro-2,3-diphenylquinoxaline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 327.10077 Da
Monoisotopic Mass: 4.4
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]+	328.10805	175.8
[M+Na]+	350.08999	182.6
[M-H]-	326.09349	183.6
[M+NH4]+	345.13459	186.0
[M+K]+	366.06393	172.0
[M+H-H2O]+	310.09803	168.4
[M+HCOO]-	372.09897	196.9
[M+CH3COO]-	386.11462	204.4
[M+Na-2H]-	348.07544	185.3
[M]+	327.10022	173.4
[M]-	327.10132	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe