CID 135581712

67945-75-9

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

C1=COC(=C1)C2=NC(=CC(=O)N2)N

InChI

InChI=1S/C8H7N3O2/c9-6-4-7(12)11-8(10-6)5-2-1-3-13-5/h1-4H,(H3,9,10,11,12)

InChIKey

HEHNLOYMBNTESC-UHFFFAOYSA-N

Compound name

4-amino-2-(furan-2-yl)-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 177.05383 Da
Monoisotopic Mass: -0.1
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]+	178.06111	133.4
[M+Na]+	200.04305	143.5
[M-H]-	176.04655	137.4
[M+NH4]+	195.08765	150.2
[M+K]+	216.01699	140.9
[M+H-H2O]+	160.05109	125.9
[M+HCOO]-	222.05203	156.6
[M+CH3COO]-	236.06768	147.2
[M+Na-2H]-	198.02850	140.3
[M]+	177.05328	132.2
[M]-	177.05438	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe