CID 135415469

39786-36-2

Structural Information

Molecular Formula

C₁₀H₆N₂O₂

SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=O)NC=N3

InChI

InChI=1S/C10H6N2O2/c13-10-9-8(11-5-12-10)6-3-1-2-4-7(6)14-9/h1-5H,(H,11,12,13)

InChIKey

PCCWPSFTRGJXEF-UHFFFAOYSA-N

Compound name

3H-[1]benzofuro[3,2-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 72
Patents: 186.04292 Da
Monoisotopic Mass: 1.4
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]+	187.05020	134.1
[M+Na]+	209.03214	150.1
[M+NH4]+	204.07674	143.1
[M+K]+	225.00608	145.3
[M-H]-	185.03564	137.2
[M+Na-2H]-	207.01759	141.0
[M]+	186.04237	137.3
[M]-	186.04347	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe