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]+ 255.10878 153.9
[M+Na]+ 277.09072 168.4
[M-H]- 253.09422 154.1
[M+NH4]+ 272.13532 169.1
[M+K]+ 293.06466 164.8
[M+H-H2O]+ 237.09876 146.5
[M+HCOO]- 299.09970 174.3
[M+CH3COO]- 313.11535 194.3
[M+Na-2H]- 275.07617 158.0
[M]+ 254.10095 161.9
[M]- 254.10205 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.