CID 135441735

Chebi:192372

Structural Information

Molecular Formula
C12H8N2O4
SMILES
C1=CC2=C(C(=C1)O)[N+](=C3C=CC=C(C3=[N+]2[O-])O)[O-]
InChI
InChI=1S/C12H8N2O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H
InChIKey
NBMOVCYIGUDQJE-UHFFFAOYSA-N
Compound name
5,10-dioxidophenazine-5,10-diium-1,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

102
Patents

244.0484 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05568 152.9
[M+Na]+ 267.03762 171.9
[M+NH4]+ 262.08222 161.3
[M+K]+ 283.01156 169.0
[M-H]- 243.04112 156.7
[M+Na-2H]- 265.02307 158.9
[M]+ 244.04785 156.8
[M]- 244.04895 156.8
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