CID 15957527

Phenazine, 1,6-dimethoxy-, 5,10-dioxide

Structural Information

Molecular Formula
C14H12N2O4
SMILES
COC1=CC=CC2=C1N(C3=C([N+]2=O)C(=CC=C3)OC)[O-]
InChI
InChI=1S/C14H12N2O4/c1-19-11-7-3-5-9-13(11)15(17)10-6-4-8-12(20-2)14(10)16(9)18/h3-8H,1-2H3
InChIKey
OGNXLFBCXQYFDB-UHFFFAOYSA-N
Compound name
1,6-dimethoxy-10-oxidophenazin-5-ium 5-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

17
Patents

272.0797 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.086976 158.5
[M+Na]+ 295.068918 170.5
[M-H]- 271.072424 161.5
[M+NH4]+ 290.113523 173.7
[M+K]+ 311.042858 161.7
[M+H-H2O]+ 255.076960 154.6
[M+HCOO]- 317.077901 179.3
[M+CH3COO]- 331.093551 190.3
[M+Na-2H]- 293.054366 169.4
[M]+ 272.07915142 162.8
[M]- 272.08024858 162.8
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