CID 53433128

Phenazinone

Structural Information

Molecular Formula

C₁₂H₈N₂O

SMILES

C1C=CC2=NC3=CC=CC=C3N=C2C1=O

InChI

InChI=1S/C12H8N2O/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10/h1-6H,7H2

InChIKey

XRBFSIULXQASEB-UHFFFAOYSA-N

Compound name

2H-phenazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3666
Patents: 196.06366 Da
Monoisotopic Mass: 1.8
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]+	197.07094	139.4
[M+Na]+	219.05288	149.5
[M-H]-	195.05638	142.3
[M+NH4]+	214.09748	158.1
[M+K]+	235.02682	144.9
[M+H-H2O]+	179.06092	131.2
[M+HCOO]-	241.06186	158.9
[M+CH3COO]-	255.07751	152.4
[M+Na-2H]-	217.03833	150.0
[M]+	196.06311	138.9
[M]-	196.06421	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe