CID 228615

Phenazine di-n-oxide

Structural Information

Molecular Formula

C₁₂H₈N₂O₂

SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3[N+]2=O)[O-]

InChI

InChI=1S/C12H8N2O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H

InChIKey

ZMFJCQAPRNRDSK-UHFFFAOYSA-N

Compound name

10-oxidophenazin-5-ium 5-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 86
Patents: 212.05858 Da
Monoisotopic Mass: 1.3
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]+	213.06586	140.4
[M+Na]+	235.04780	159.9
[M+NH4]+	230.09240	150.3
[M+K]+	251.02174	153.4
[M-H]-	211.05130	144.8
[M+Na-2H]-	233.03325	149.6
[M]+	212.05803	144.7
[M]-	212.05913	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe