CID 202512

10495-37-1

Structural Information

Molecular Formula

C₁₈H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O

InChI

InChI=1S/C18H12N2O2/c19-15-10-9-14-16-12(15)7-4-8-13(16)17(21)20(18(14)22)11-5-2-1-3-6-11/h1-10H,19H2

InChIKey

HRQSPGSEYDLAIM-UHFFFAOYSA-N

Compound name

6-amino-2-phenylbenzo[de]isoquinoline-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 65
Patents: 288.08987 Da
Monoisotopic Mass: 3.0
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]+	289.09715	164.8
[M+Na]+	311.07909	181.3
[M+NH4]+	306.12369	174.1
[M+K]+	327.05303	172.5
[M-H]-	287.08259	170.4
[M+Na-2H]-	309.06454	172.6
[M]+	288.08932	168.9
[M]-	288.09042	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe