CID 15957526

Phenazine, 1,6-dimethoxy-, 5-oxide

Structural Information

Molecular Formula
C14H12N2O3
SMILES
COC1=CC=CC2=C1[N+](=C3C=CC=C(C3=N2)OC)[O-]
InChI
InChI=1S/C14H12N2O3/c1-18-11-7-4-6-10-13(11)15-9-5-3-8-12(19-2)14(9)16(10)17/h3-8H,1-2H3
InChIKey
YJPUKVVGBLRGID-UHFFFAOYSA-N
Compound name
1,6-dimethoxy-5-oxidophenazin-5-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8
Patents

256.08478 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 155.6
[M+Na]+ 279.07400 166.7
[M-H]- 255.07750 158.2
[M+NH4]+ 274.11860 171.3
[M+K]+ 295.04794 157.8
[M+H-H2O]+ 239.08204 151.7
[M+HCOO]- 301.08298 176.2
[M+CH3COO]- 315.09863 187.8
[M+Na-2H]- 277.05945 167.2
[M]+ 256.08423 158.9
[M]- 256.08533 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.