CID 87734

Benzo(a)phenazine, 7,12-dioxide

Structural Information

Molecular Formula

C₁₆H₁₀N₂O₂

SMILES

C1=CC=C2C(=C1)C=CC3=C2[N+](=O)C4=CC=CC=C4N3[O-]

InChI

InChI=1S/C16H10N2O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H

InChIKey

GZLLXAACHUGEBR-UHFFFAOYSA-N

Compound name

7-oxidobenzo[a]phenazin-12-ium 12-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 262.07422 Da
Monoisotopic Mass: 2.6
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]+	263.08150	156.1
[M+Na]+	285.06344	167.5
[M-H]-	261.06694	159.4
[M+NH4]+	280.10804	172.0
[M+K]+	301.03738	156.4
[M+H-H2O]+	245.07148	151.3
[M+HCOO]-	307.07242	175.4
[M+CH3COO]-	321.08807	189.2
[M+Na-2H]-	283.04889	169.1
[M]+	262.07367	156.5
[M]-	262.07477	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe