CID 255057

5690-46-0

Structural Information

Molecular Formula

C₁₂H₈N₂O₂

SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)N

InChI

InChI=1S/C12H8N2O2/c13-14-11(15)8-5-1-3-7-4-2-6-9(10(7)8)12(14)16/h1-6H,13H2

InChIKey

HXJBFRDWVHNPAS-UHFFFAOYSA-N

Compound name

2-aminobenzo[de]isoquinoline-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 46
Patents: 212.05858 Da
Monoisotopic Mass: 1.4
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]+	213.06586	142.9
[M+Na]+	235.04780	153.1
[M-H]-	211.05130	146.5
[M+NH4]+	230.09240	162.5
[M+K]+	251.02174	148.8
[M+H-H2O]+	195.05584	135.9
[M+HCOO]-	257.05678	163.1
[M+CH3COO]-	271.07243	156.0
[M+Na-2H]-	233.03325	151.0
[M]+	212.05803	142.3
[M]-	212.05913	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe