CID 457683

Chebi:192373

Structural Information

Molecular Formula

C₁₃H₉N₂O₄

SMILES

COC1=CC=CC2=C1N(C3=CC=CC(=O)C3=[N+]2[O-])[O-]

InChI

InChI=1S/C13H9N2O4/c1-19-11-7-3-5-9-13(11)15(18)8-4-2-6-10(16)12(8)14(9)17/h2-7H,1H3/q-1

InChIKey

PORRVDPGWWUQGK-UHFFFAOYSA-N

Compound name

6-methoxy-5,10-dioxidophenazin-10-ium-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 257.05624 Da
Monoisotopic Mass: 0.2
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]+	258.06352	155.0
[M+Na]+	280.04546	172.2
[M+NH4]+	275.09006	162.6
[M+K]+	296.01940	168.2
[M-H]-	256.04896	157.5
[M+Na-2H]-	278.03091	160.1
[M]+	257.05569	157.9
[M]-	257.05679	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe