CID 6817

Pyocyanin

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

CN1C2=CC=CC=C2N=C3C1=CC=CC3=O

InChI

InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3

InChIKey

YNCMLFHHXWETLD-UHFFFAOYSA-N

Compound name

5-methylphenazin-1-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 824
References: 2493
Patents: 210.07932 Da
Monoisotopic Mass: 2.0
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]+	211.086596	143.7
[M+Na]+	233.068538	155.3
[M-H]-	209.072044	147.1
[M+NH4]+	228.113143	162.3
[M+K]+	249.042478	150.3
[M+H-H2O]+	193.076580	135.5
[M+HCOO]-	255.077521	164.2
[M+CH3COO]-	269.093171	157.1
[M+Na-2H]-	231.053986	153.9
[M]+	210.07877142	145.3
[M]-	210.07986858	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe