CID 9362

Phenazine oxide

Structural Information

Molecular Formula

C₁₂H₈N₂O

SMILES

C1=CC=C2C(=C1)N=C3C=CC=CC3=[N+]2[O-]

InChI

InChI=1S/C12H8N2O/c15-14-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)14/h1-8H

InChIKey

FFISWZPYNKWIRR-UHFFFAOYSA-N

Compound name

5-oxidophenazin-5-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4639
Patents: 196.06366 Da
Monoisotopic Mass: 1.6
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]+	197.07094	138.1
[M+Na]+	219.05288	148.7
[M-H]-	195.05638	140.3
[M+NH4]+	214.09748	155.9
[M+K]+	235.02682	139.1
[M+H-H2O]+	179.06092	134.8
[M+HCOO]-	241.06186	159.2
[M+CH3COO]-	255.07751	175.6
[M+Na-2H]-	217.03833	152.0
[M]+	196.06311	137.3
[M]-	196.06421	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe