CID 218658

41011-03-4

Structural Information

Molecular Formula
C11H16N4O3
SMILES
CC(C(C)O)N1C=NC2=C1C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C11H16N4O3/c1-6(7(2)16)15-5-12-9-8(15)10(17)14(4)11(18)13(9)3/h5-7,16H,1-4H3
InChIKey
LKZJFSFXDGUCHF-UHFFFAOYSA-N
Compound name
7-(3-hydroxybutan-2-yl)-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12224 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12952 155.1
[M+Na]+ 275.11146 167.9
[M-H]- 251.11496 155.0
[M+NH4]+ 270.15606 170.0
[M+K]+ 291.08540 164.5
[M+H-H2O]+ 235.11950 147.7
[M+HCOO]- 297.12044 173.1
[M+CH3COO]- 311.13609 195.6
[M+Na-2H]- 273.09691 157.2
[M]+ 252.12169 160.5
[M]- 252.12279 160.5
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.