CID 67313277

[1,3]diazino[5,4-d]pyrimidine-2,4-diol hydrochloride

Structural Information

Molecular Formula
C6H4N4O2
SMILES
C1=C2C(=NC=N1)C(=O)NC(=O)N2
InChI
InChI=1S/C6H4N4O2/c11-5-4-3(1-7-2-8-4)9-6(12)10-5/h1-2H,(H2,9,10,11,12)
InChIKey
AVFPHNYFGANRNL-UHFFFAOYSA-N
Compound name
5H-pyrimido[5,4-d]pyrimidine-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

164.03343 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04071 131.1
[M+Na]+ 187.02265 142.9
[M-H]- 163.02615 128.5
[M+NH4]+ 182.06725 146.2
[M+K]+ 202.99659 137.9
[M+H-H2O]+ 147.03069 123.3
[M+HCOO]- 209.03163 148.9
[M+CH3COO]- 223.04728 143.5
[M+Na-2H]- 185.00810 141.6
[M]+ 164.03288 129.3
[M]- 164.03398 129.3
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

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