CID 128832

2-apq

Structural Information

Molecular Formula

C₁₂H₉N₃O

SMILES

C1=CC2=NC3=C(C=C(C=C3)N)C(=O)N2C=C1

InChI

InChI=1S/C12H9N3O/c13-8-4-5-10-9(7-8)12(16)15-6-2-1-3-11(15)14-10/h1-7H,13H2

InChIKey

JXFVLHYHXFIVBB-UHFFFAOYSA-N

Compound name

2-aminopyrido[2,1-b]quinazolin-11-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 211.07455 Da
Monoisotopic Mass: 0.9
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]+	212.08183	142.4
[M+Na]+	234.06377	159.4
[M+NH4]+	229.10837	151.7
[M+K]+	250.03771	151.3
[M-H]-	210.06727	146.2
[M+Na-2H]-	232.04922	151.4
[M]+	211.07400	146.0
[M]-	211.07510	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe