CID 15957527

Phenazine, 1,6-dimethoxy-, 5,10-dioxide

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₄

SMILES

COC1=CC=CC2=C1N(C3=C([N+]2=O)C(=CC=C3)OC)[O-]

InChI

InChI=1S/C14H12N2O4/c1-19-11-7-3-5-9-13(11)15(17)10-6-4-8-12(20-2)14(10)16(9)18/h3-8H,1-2H3

InChIKey

OGNXLFBCXQYFDB-UHFFFAOYSA-N

Compound name

1,6-dimethoxy-10-oxidophenazin-5-ium 5-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 272.0797 Da
Monoisotopic Mass: 1.2
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]+	273.08698	158.5
[M+Na]+	295.06892	170.5
[M-H]-	271.07242	161.5
[M+NH4]+	290.11352	173.7
[M+K]+	311.04286	161.7
[M+H-H2O]+	255.07696	154.6
[M+HCOO]-	317.07790	179.3
[M+CH3COO]-	331.09355	190.3
[M+Na-2H]-	293.05437	169.4
[M]+	272.07915	162.8
[M]-	272.08025	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe