CID 218073

Brn 1161605

Structural Information

Molecular Formula
C13H20N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)CCO
InChI
InChI=1S/C13H20N6O3/c1-16-10-9(11(21)17(2)13(16)22)14-12(15-10)19-5-3-18(4-6-19)7-8-20/h20H,3-8H2,1-2H3,(H,14,15)
InChIKey
MFMUXBMPMXPWAT-UHFFFAOYSA-N
Compound name
8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

308.1597 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16698 174.1
[M+Na]+ 331.14892 186.5
[M+NH4]+ 326.19352 177.5
[M+K]+ 347.12286 184.0
[M-H]- 307.15242 172.4
[M+Na-2H]- 329.13437 176.3
[M]+ 308.15915 174.9
[M]- 308.16025 174.9
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

patents stripe