CID 25202617

Schembl24838577

Structural Information

Molecular Formula
C5H6N4O2
SMILES
C1NC2=C(C(=O)N1)NC(=O)N2
InChI
InChI=1S/C5H6N4O2/c10-4-2-3(6-1-7-4)9-5(11)8-2/h6H,1H2,(H,7,10)(H2,8,9,11)
InChIKey
UFOMXOFPHORATB-UHFFFAOYSA-N
Compound name
2,3,7,9-tetrahydro-1H-purine-6,8-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

154.04907 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05635 131.1
[M+Na]+ 177.03829 140.6
[M+NH4]+ 172.08289 136.3
[M+K]+ 193.01223 139.2
[M-H]- 153.04179 127.5
[M+Na-2H]- 175.02374 132.6
[M]+ 154.04852 130.8
[M]- 154.04962 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.