CID 172879961

2,6-dioxo-m1g

Structural Information

Molecular Formula
C8H5N5O3
SMILES
C1=CN2C(=O)C3=C(NC(=O)N3)N=C2NC1=O
InChI
InChI=1S/C8H5N5O3/c14-3-1-2-13-6(15)4-5(11-7(13)9-3)12-8(16)10-4/h1-2H,(H,9,11,14)(H2,10,12,16)
InChIKey
VDXVWYNZXRYPCL-UHFFFAOYSA-N
Compound name
3,5-dihydro-1H-pyrimido[1,2-a]purine-2,6,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.03925 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.046526 144.9
[M+Na]+ 242.028468 159.4
[M-H]- 218.031974 142.0
[M+NH4]+ 237.073073 158.8
[M+K]+ 258.002408 152.3
[M+H-H2O]+ 202.036510 137.2
[M+HCOO]- 264.037451 161.3
[M+CH3COO]- 278.053101 156.7
[M+Na-2H]- 240.013916 153.1
[M]+ 219.03870142 145.1
[M]- 219.03979858 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.