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]+ 253.129516 155.1
[M+Na]+ 275.111458 167.9
[M-H]- 251.114964 155.0
[M+NH4]+ 270.156063 170.0
[M+K]+ 291.085398 164.5
[M+H-H2O]+ 235.119500 147.7
[M+HCOO]- 297.120441 173.1
[M+CH3COO]- 311.136091 195.6
[M+Na-2H]- 273.096906 157.2
[M]+ 252.12169142 160.5
[M]- 252.12278858 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.