CID 592097

65996-50-1

Structural Information

Molecular Formula

C₆H₅N₃O₂

SMILES

C1=CNC2=C1NC(=O)NC2=O

InChI

InChI=1S/C6H5N3O2/c10-5-4-3(1-2-7-4)8-6(11)9-5/h1-2,7H,(H2,8,9,10,11)

InChIKey

BSRITDQWGPSXPQ-UHFFFAOYSA-N

Compound name

1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 151.03818 Da
Monoisotopic Mass: -0.4
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]+	152.04546	126.6
[M+Na]+	174.02740	139.5
[M+NH4]+	169.07200	133.0
[M+K]+	190.00134	136.6
[M-H]-	150.03090	124.9
[M+Na-2H]-	172.01285	131.6
[M]+	151.03763	127.5
[M]-	151.03873	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe