CID 853497

71527-03-2

Structural Information

Molecular Formula
C13H20N6O2
SMILES
CN1CCN(CC1)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C13H20N6O2/c1-16-4-6-19(7-5-16)8-9-14-10-11(15-9)17(2)13(21)18(3)12(10)20/h4-8H2,1-3H3,(H,14,15)
InChIKey
KVYOGLSVXQQNHA-UHFFFAOYSA-N
Compound name
1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.16476 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17204 173.5
[M+Na]+ 315.15398 185.3
[M-H]- 291.15748 173.0
[M+NH4]+ 310.19858 183.6
[M+K]+ 331.12792 178.9
[M+H-H2O]+ 275.16202 163.3
[M+HCOO]- 337.16296 186.6
[M+CH3COO]- 351.17861 183.1
[M+Na-2H]- 313.13943 174.4
[M]+ 292.16421 173.9
[M]- 292.16531 173.9
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.