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

9
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

literature stripe

Patent stripe

patents stripe