CID 135403208

2-hydroxyphenazine 5,10-dioxide

Structural Information

Molecular Formula
C12H8N2O3
SMILES
C1=CC=C2C(=C1)[N+](=C3C=CC(=CC3=[N+]2[O-])O)[O-]
InChI
InChI=1S/C12H8N2O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H
InChIKey
BMYLMFASUBJXBU-UHFFFAOYSA-N
Compound name
5,10-dioxidophenazine-5,10-diium-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

14
Patents

228.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.060776 148.1
[M+Na]+ 251.042718 158.1
[M-H]- 227.046224 148.4
[M+NH4]+ 246.087323 162.6
[M+K]+ 267.016658 143.7
[M+H-H2O]+ 211.050760 149.6
[M+HCOO]- 273.051701 166.3
[M+CH3COO]- 287.067351 171.5
[M+Na-2H]- 249.028166 161.3
[M]+ 228.05295142 145.2
[M]- 228.05404858 145.2
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