CID 2049

146535-11-7

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

COC1=C(C=C2C(=C1)N=CC(=N2)C3=CC=CC=C3)OC

InChI

InChI=1S/C16H14N2O2/c1-19-15-8-12-13(9-16(15)20-2)18-14(10-17-12)11-6-4-3-5-7-11/h3-10H,1-2H3

InChIKey

QNOXYUNHIGOWNY-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-2-phenylquinoxaline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 114
References: 803
Patents: 266.10553 Da
Monoisotopic Mass: 2.8
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]+	267.112806	160.8
[M+Na]+	289.094748	170.5
[M-H]-	265.098254	166.0
[M+NH4]+	284.139353	175.6
[M+K]+	305.068688	166.0
[M+H-H2O]+	249.102790	151.0
[M+HCOO]-	311.103731	181.8
[M+CH3COO]-	325.119381	172.9
[M+Na-2H]-	287.080196	168.7
[M]+	266.10498142	164.1
[M]-	266.10607858	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe