CID 135457300

1-phenazinecarboxylic acid, 6-formyl-4,7,9-trihydroxy-, methyl ester

Structural Information

Molecular Formula
C15H10N2O6
SMILES
COC(=O)C1=C2C(=NC\3=C(N2)C(=O)C=C(/C3=C/O)O)C(=O)C=C1
InChI
InChI=1S/C15H10N2O6/c1-23-15(22)6-2-3-8(19)13-11(6)16-14-10(21)4-9(20)7(5-18)12(14)17-13/h2-5,16,18,20H,1H3/b7-5-
InChIKey
YDXARWIJAYOANV-ALCCZGGFSA-N
Compound name
methyl (6E)-7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

768
Patents

314.0539 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06118 166.1
[M+Na]+ 337.04312 178.6
[M-H]- 313.04662 166.8
[M+NH4]+ 332.08772 178.5
[M+K]+ 353.01706 173.2
[M+H-H2O]+ 297.05116 158.5
[M+HCOO]- 359.05210 183.0
[M+CH3COO]- 373.06775 200.2
[M+Na-2H]- 335.02857 172.0
[M]+ 314.05335 170.0
[M]- 314.05445 170.0
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.