CID 54169218

Dhpo

Structural Information

Molecular Formula
C12H8N2O3
SMILES
C1=CC2=C(C(=C1)O)N(C3=CC=CC(=O)C3=N2)O
InChI
InChI=1S/C12H8N2O3/c15-9-5-2-4-8-11(9)13-7-3-1-6-10(16)12(7)14(8)17/h1-6,16-17H
InChIKey
ZXBAHZGKYRGBPG-UHFFFAOYSA-N
Compound name
5,6-dihydroxyphenazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

228.0535 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.060776 146.4
[M+Na]+ 251.042718 158.2
[M-H]- 227.046224 147.7
[M+NH4]+ 246.087323 163.0
[M+K]+ 267.016658 153.1
[M+H-H2O]+ 211.050760 139.0
[M+HCOO]- 273.051701 164.6
[M+CH3COO]- 287.067351 159.0
[M+Na-2H]- 249.028166 155.7
[M]+ 228.05295142 147.5
[M]- 228.05404858 147.5
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