CID 726944

52727-44-3

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C1COC2=NC3=CC=CC=C3C(=O)N21

InChI

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

InChIKey

QBEBJBXQJGORQQ-UHFFFAOYSA-N

Compound name

2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 13
Patents: 188.05858 Da
Monoisotopic Mass: 1.1
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