CID 209358

19774-85-7

Structural Information

Molecular Formula
C10H14N4O4
SMILES
CC1=NC2=C(N1OCCO)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C10H14N4O4/c1-6-11-8-7(14(6)18-5-4-15)9(16)13(3)10(17)12(8)2/h15H,4-5H2,1-3H3
InChIKey
SNNMBEAKYQMGOB-UHFFFAOYSA-N
Compound name
7-(2-hydroxyethoxy)-1,3,8-trimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1015 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.108776 153.9
[M+Na]+ 277.090718 168.4
[M-H]- 253.094224 154.1
[M+NH4]+ 272.135323 169.1
[M+K]+ 293.064658 164.8
[M+H-H2O]+ 237.098760 146.5
[M+HCOO]- 299.099701 174.3
[M+CH3COO]- 313.115351 194.3
[M+Na-2H]- 275.076166 158.0
[M]+ 254.10095142 161.9
[M]- 254.10204858 161.9
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

No patent data available for this compound.