CID 18640

3271-05-4

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

CN1C(=O)C2=C3C(=C(C=C2)OC)C=CC=C3C1=O

InChI

InChI=1S/C14H11NO3/c1-15-13(16)9-5-3-4-8-11(18-2)7-6-10(12(8)9)14(15)17/h3-7H,1-2H3

InChIKey

CNUWYNDMLFVRBU-UHFFFAOYSA-N

Compound name

6-methoxy-2-methylbenzo[de]isoquinoline-1,3-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 192
Patents: 241.0739 Da
Monoisotopic Mass: 2.1
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]+	242.08118	150.8
[M+Na]+	264.06312	166.2
[M+NH4]+	259.10772	159.7
[M+K]+	280.03706	158.8
[M-H]-	240.06662	153.1
[M+Na-2H]-	262.04857	155.9
[M]+	241.07335	153.7
[M]-	241.07445	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe