CID 135427619

143993-12-8

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

CNCC1=NC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C10H11N3O/c1-11-6-9-12-8-5-3-2-4-7(8)10(14)13-9/h2-5,11H,6H2,1H3,(H,12,13,14)

InChIKey

DMJLEOHAYHKRRH-UHFFFAOYSA-N

Compound name

2-(methylaminomethyl)-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 189.09021 Da
Monoisotopic Mass: 0.3
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]+	190.09749	139.0
[M+Na]+	212.07943	152.9
[M+NH4]+	207.12403	147.0
[M+K]+	228.05337	146.0
[M-H]-	188.08293	141.0
[M+Na-2H]-	210.06488	146.2
[M]+	189.08966	141.4
[M]-	189.09076	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe