CID 37835

W-2429

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C1CON2C1=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C10H8N2O2/c13-10-7-3-1-2-4-8(7)11-9-5-6-14-12(9)10/h1-4H,5-6H2

InChIKey

ZHIKRYZUZNUZFQ-UHFFFAOYSA-N

Compound name

2,3-dihydro-[1,2]oxazolo[3,2-b]quinazolin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 188.05858 Da
Monoisotopic Mass: 0.6
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]+	189.065856	134.8
[M+Na]+	211.047798	145.8
[M-H]-	187.051304	138.7
[M+NH4]+	206.092403	154.6
[M+K]+	227.021738	143.5
[M+H-H2O]+	171.055840	127.7
[M+HCOO]-	233.056781	155.2
[M+CH3COO]-	247.072431	149.0
[M+Na-2H]-	209.033246	144.0
[M]+	188.05803142	136.5
[M]-	188.05912858	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe