CID 209312

Gd 092

Structural Information

Molecular Formula
C11H16N4O4
SMILES
CCC1=NC2=C(N1OCCO)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C11H16N4O4/c1-4-7-12-9-8(15(7)19-6-5-16)10(17)14(3)11(18)13(9)2/h16H,4-6H2,1-3H3
InChIKey
YVSBJGOLSVDHHT-UHFFFAOYSA-N
Compound name
8-ethyl-7-(2-hydroxyethoxy)-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.11716 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12444 158.5
[M+Na]+ 291.10638 172.4
[M-H]- 267.10988 158.4
[M+NH4]+ 286.15098 173.0
[M+K]+ 307.08032 168.6
[M+H-H2O]+ 251.11442 150.8
[M+HCOO]- 313.11536 178.5
[M+CH3COO]- 327.13101 197.3
[M+Na-2H]- 289.09183 162.1
[M]+ 268.11661 166.8
[M]- 268.11771 166.8
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.