CID 33612

Lomofungin

Structural Information

Molecular Formula
C15H10N2O6
SMILES
COC(=O)C1=C2C(=NC3=C(N2)C(=O)C=C(C3=CO)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
InChIKey
YDXARWIJAYOANV-UHFFFAOYSA-N
Compound name
methyl 7-hydroxy-6-(hydroxymethylidene)-4,9-dioxo-10H-phenazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

622
Patents

314.0539 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.061176 166.1
[M+Na]+ 337.043118 178.6
[M-H]- 313.046624 166.8
[M+NH4]+ 332.087723 178.5
[M+K]+ 353.017058 173.2
[M+H-H2O]+ 297.051160 158.5
[M+HCOO]- 359.052101 183.0
[M+CH3COO]- 373.067751 200.2
[M+Na-2H]- 335.028566 172.0
[M]+ 314.05335142 170.0
[M]- 314.05444858 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.