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]+ 269.124436 158.5
[M+Na]+ 291.106378 172.4
[M-H]- 267.109884 158.4
[M+NH4]+ 286.150983 173.0
[M+K]+ 307.080318 168.6
[M+H-H2O]+ 251.114420 150.8
[M+HCOO]- 313.115361 178.5
[M+CH3COO]- 327.131011 197.3
[M+Na-2H]- 289.091826 162.1
[M]+ 268.11661142 166.8
[M]- 268.11770858 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.