CID 3010855

7h-naphtho[1,2,3-ij][2,7]naphthyridin-7-one, 6a,11c-dihydro-3-methoxy-

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₂

SMILES

COC1=CN=C2C3C1=CC=NC3C(=O)C4=CC=CC=C42

InChI

InChI=1S/C16H12N2O2/c1-20-12-8-18-14-9-4-2-3-5-10(9)16(19)15-13(14)11(12)6-7-17-15/h2-8,13,15H,1H3

InChIKey

PSBAFLWKSOAOCS-UHFFFAOYSA-N

Compound name

14-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,12,14-heptaen-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 264.08987 Da
Monoisotopic Mass: 0.6
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]+	265.097146	158.9
[M+Na]+	287.079088	168.7
[M-H]-	263.082594	161.8
[M+NH4]+	282.123693	176.0
[M+K]+	303.053028	163.5
[M+H-H2O]+	247.087130	149.4
[M+HCOO]-	309.088071	175.2
[M+CH3COO]-	323.103721	170.4
[M+Na-2H]-	285.064536	167.9
[M]+	264.08932142	160.7
[M]-	264.09041858	160.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.