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

13
References

11
Patents

228.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06078 148.1
[M+Na]+ 251.04272 158.1
[M-H]- 227.04622 148.4
[M+NH4]+ 246.08732 162.6
[M+K]+ 267.01666 143.7
[M+H-H2O]+ 211.05076 149.6
[M+HCOO]- 273.05170 166.3
[M+CH3COO]- 287.06735 171.5
[M+Na-2H]- 249.02817 161.3
[M]+ 228.05295 145.2
[M]- 228.05405 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