CID 457683

Chebi:192373

Structural Information

Molecular Formula
C13H9N2O4
SMILES
COC1=CC=CC2=C1N(C3=CC=CC(=O)C3=[N+]2[O-])[O-]
InChI
InChI=1S/C13H9N2O4/c1-19-11-7-3-5-9-13(11)15(18)8-4-2-6-10(16)12(8)14(9)17/h2-7H,1H3/q-1
InChIKey
PORRVDPGWWUQGK-UHFFFAOYSA-N
Compound name
6-methoxy-5,10-dioxidophenazin-10-ium-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

257.05624 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06352 153.1
[M+Na]+ 280.04546 163.5
[M-H]- 256.04896 154.2
[M+NH4]+ 275.09006 167.7
[M+K]+ 296.01940 155.2
[M+H-H2O]+ 240.05350 151.6
[M+HCOO]- 302.05444 171.9
[M+CH3COO]- 316.07009 185.3
[M+Na-2H]- 278.03091 162.8
[M]+ 257.05569 153.1
[M]- 257.05679 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe