CID 71750

Daniquidone

Structural Information

Molecular Formula

C₁₅H₁₁N₃O

SMILES

C1C2=C(C=CC(=C2)N)N=C3N1C(=O)C4=CC=CC=C43

InChI

InChI=1S/C15H11N3O/c16-10-5-6-13-9(7-10)8-18-14(17-13)11-3-1-2-4-12(11)15(18)19/h1-7H,8,16H2

InChIKey

SRIOCKJKFXAKHK-UHFFFAOYSA-N

Compound name

8-amino-10H-isoindolo[1,2-b]quinazolin-12-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 31
References: 1355
Patents: 249.09021 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]+	250.09749	154.9
[M+Na]+	272.07943	169.7
[M+NH4]+	267.12403	164.5
[M+K]+	288.05337	163.5
[M-H]-	248.08293	158.5
[M+Na-2H]-	270.06488	160.4
[M]+	249.08966	158.0
[M]-	249.09076	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe