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]+ 220.04653 144.9
[M+Na]+ 242.02847 159.4
[M-H]- 218.03197 142.0
[M+NH4]+ 237.07307 158.8
[M+K]+ 258.00241 152.3
[M+H-H2O]+ 202.03651 137.2
[M+HCOO]- 264.03745 161.3
[M+CH3COO]- 278.05310 156.7
[M+Na-2H]- 240.01392 153.1
[M]+ 219.03870 145.1
[M]- 219.03980 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.