CID 218659

Brn 0539166

Structural Information

Molecular Formula
C11H16N4O3
SMILES
CC(C)(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O
InChI
InChI=1S/C11H16N4O3/c1-11(2,18)5-15-6-12-8-7(15)9(16)14(4)10(17)13(8)3/h6,18H,5H2,1-4H3
InChIKey
WIZRYWWFTQBUAD-UHFFFAOYSA-N
Compound name
7-(2-hydroxy-2-methylpropyl)-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.12224 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12952 157.9
[M+Na]+ 275.11146 171.5
[M-H]- 251.11496 157.9
[M+NH4]+ 270.15606 173.0
[M+K]+ 291.08540 167.6
[M+H-H2O]+ 235.11950 150.9
[M+HCOO]- 297.12044 176.1
[M+CH3COO]- 311.13609 194.2
[M+Na-2H]- 273.09691 163.0
[M]+ 252.12169 163.9
[M]- 252.12279 163.9
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