CID 44186448

927912-25-2

Structural Information

Molecular Formula
C8H8N4O5
SMILES
C(CO)N1C2=C(C(=O)NC(=O)N2)C(=O)NC1=O
InChI
InChI=1S/C8H8N4O5/c13-2-1-12-4-3(6(15)11-8(12)17)5(14)10-7(16)9-4/h13H,1-2H2,(H,11,15,17)(H2,9,10,14,16)
InChIKey
KDTUXPJCBIINJP-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.04947 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05675 149.7
[M+Na]+ 263.03869 162.3
[M-H]- 239.04219 145.3
[M+NH4]+ 258.08329 160.7
[M+K]+ 279.01263 156.0
[M+H-H2O]+ 223.04673 142.3
[M+HCOO]- 285.04767 164.4
[M+CH3COO]- 299.06332 182.1
[M+Na-2H]- 261.02414 155.8
[M]+ 240.04892 149.0
[M]- 240.05002 149.0
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

patents stripe