CID 6455189

65738-24-1

Structural Information

Molecular Formula

C₁₅H₁₁NO₄

SMILES

CN1C(=O)C2=CC=CC3=C2C(=CC(=C3C=O)OC)C1=O

InChI

InChI=1S/C15H11NO4/c1-16-14(18)9-5-3-4-8-11(7-17)12(20-2)6-10(13(8)9)15(16)19/h3-7H,1-2H3

InChIKey

GOUMEIKYAMBCGX-UHFFFAOYSA-N

Compound name

5-methoxy-2-methyl-1,3-dioxobenzo[de]isoquinoline-6-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.06882 Da
Monoisotopic Mass: 1.6
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]+	270.076096	156.8
[M+Na]+	292.058038	168.0
[M-H]-	268.061544	161.0
[M+NH4]+	287.102643	174.8
[M+K]+	308.031978	164.4
[M+H-H2O]+	252.066080	149.4
[M+HCOO]-	314.067021	175.9
[M+CH3COO]-	328.082671	202.3
[M+Na-2H]-	290.043486	162.5
[M]+	269.06827142	161.7
[M]-	269.06936858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.