CID 366886

Nsc635929

Structural Information

Molecular Formula

C₁₆H₁₁N₃O₂

SMILES

CC1=C2C=CNC(=O)C2=CC3=C1NC4=C(C3=O)C=NC=C4

InChI

InChI=1S/C16H11N3O2/c1-8-9-2-5-18-16(21)10(9)6-11-14(8)19-13-3-4-17-7-12(13)15(11)20/h2-7H,1H3,(H,18,21)(H,19,20)

InChIKey

HPOHFRLXNCOIQM-UHFFFAOYSA-N

Compound name

6-methyl-5,9-dihydroisoquinolino[6,7-b][1,6]naphthyridine-10,12-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.0851 Da
Monoisotopic Mass: 1.7
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]+	278.092376	162.7
[M+Na]+	300.074318	176.2
[M-H]-	276.077824	163.8
[M+NH4]+	295.118923	176.9
[M+K]+	316.048258	167.7
[M+H-H2O]+	260.082360	153.6
[M+HCOO]-	322.083301	179.0
[M+CH3COO]-	336.098951	174.0
[M+Na-2H]-	298.059766	172.8
[M]+	277.08455142	163.9
[M]-	277.08564858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.