CID 2731651

Maybridge4_003528

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂

SMILES

CNN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

InChI

InChI=1S/C13H10N2O2/c1-14-15-12(16)9-6-2-4-8-5-3-7-10(11(8)9)13(15)17/h2-7,14H,1H3

InChIKey

PSJLUGHZJARPHV-UHFFFAOYSA-N

Compound name

2-(methylamino)benzo[de]isoquinoline-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 6
Patents: 226.07423 Da
Monoisotopic Mass: 1.9
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]+	227.081506	146.7
[M+Na]+	249.063448	156.3
[M-H]-	225.066954	150.5
[M+NH4]+	244.108053	165.9
[M+K]+	265.037388	152.2
[M+H-H2O]+	209.071490	139.4
[M+HCOO]-	271.072431	167.2
[M+CH3COO]-	285.088081	159.6
[M+Na-2H]-	247.048896	155.3
[M]+	226.07368142	147.4
[M]-	226.07477858	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe