CID 118728713

5-hydroxy-4-methoxy-3-methyl-3h-indolo[3,2,1-de][1,5]naphthyridine-2,6-dione

Structural Information

Molecular Formula
C16H12N2O4
SMILES
CN1C(=O)C=C2C3=CC=CC=C3N4C2=C1C(=C(C4=O)O)OC
InChI
InChI=1S/C16H12N2O4/c1-17-11(19)7-9-8-5-3-4-6-10(8)18-12(9)13(17)15(22-2)14(20)16(18)21/h3-7,20H,1-2H3
InChIKey
CQFOPDQAOBCODL-UHFFFAOYSA-N
Compound name
3-hydroxy-4-methoxy-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.0797 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08698 165.0
[M+Na]+ 319.06892 179.8
[M-H]- 295.07242 169.2
[M+NH4]+ 314.11352 183.2
[M+K]+ 335.04286 174.5
[M+H-H2O]+ 279.07696 157.7
[M+HCOO]- 341.07790 185.3
[M+CH3COO]- 355.09355 178.4
[M+Na-2H]- 317.05437 171.6
[M]+ 296.07915 173.8
[M]- 296.08025 173.8
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

No patent data available for this compound.