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

110
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 151.1
[M+Na]+ 267.03762 161.3
[M-H]- 243.04112 150.5
[M+NH4]+ 262.08222 164.5
[M+K]+ 283.01156 146.6
[M+H-H2O]+ 227.04566 152.9
[M+HCOO]- 289.04660 168.0
[M+CH3COO]- 303.06225 171.9
[M+Na-2H]- 265.02307 163.7
[M]+ 244.04785 148.2
[M]- 244.04895 148.2
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