CID 90317236

2253632-90-3

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

C1C2(CN1)NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C10H11N3O/c14-9-7-3-1-2-4-8(7)12-10(13-9)5-11-6-10/h1-4,11-12H,5-6H2,(H,13,14)

InChIKey

XJMZNMJLFXAKPM-UHFFFAOYSA-N

Compound name

spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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	141.1
[M+Na]+	212.07943	148.4
[M+NH4]+	207.12403	146.0
[M+K]+	228.05337	142.8
[M-H]-	188.08293	138.7
[M+Na-2H]-	210.06488	144.6
[M]+	189.08966	140.2
[M]-	189.09076	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe