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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	297.086976	165.0
[M+Na]+	319.068918	179.8
[M-H]-	295.072424	169.2
[M+NH4]+	314.113523	183.2
[M+K]+	335.042858	174.5
[M+H-H2O]+	279.076960	157.7
[M+HCOO]-	341.077901	185.3
[M+CH3COO]-	355.093551	178.4
[M+Na-2H]-	317.054366	171.6
[M]+	296.07915142	173.8
[M]-	296.08024858	173.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.