CID 169438676

934395-03-6

Structural Information

Molecular Formula

C₈H₅N₅O₂

SMILES

C1=CN2C(=O)C3=C(N=CN3)N=C2NC1=O

InChI

InChI=1S/C8H5N5O2/c14-4-1-2-13-7(15)5-6(10-3-9-5)12-8(13)11-4/h1-3H,(H,9,10)(H,11,12,14)

InChIKey

WYCQOKRSTBCXLU-UHFFFAOYSA-N

Compound name

1,5-dihydropyrimido[1,2-a]purine-6,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.04433 Da
Monoisotopic Mass: -0.8
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]+	204.05161	141.0
[M+Na]+	226.03355	155.1
[M-H]-	202.03705	139.0
[M+NH4]+	221.07815	156.2
[M+K]+	242.00749	148.8
[M+H-H2O]+	186.04159	132.8
[M+HCOO]-	248.04253	158.7
[M+CH3COO]-	262.05818	153.4
[M+Na-2H]-	224.01900	150.5
[M]+	203.04378	141.9
[M]-	203.04488	141.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.