CID 1491184

Brn 0303207

Structural Information

Molecular Formula
C12H18N6O2
SMILES
CN1CCN(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C12H18N6O2/c1-15-4-6-18(7-5-15)11-13-8-9(14-11)16(2)12(20)17(3)10(8)19/h4-7H2,1-3H3,(H,13,14)
InChIKey
RVWNWJSCUDKZBC-UHFFFAOYSA-N
Compound name
1,3-dimethyl-8-(4-methylpiperazin-1-yl)-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.1491 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15638 169.3
[M+Na]+ 301.13832 181.5
[M-H]- 277.14182 169.0
[M+NH4]+ 296.18292 180.0
[M+K]+ 317.11226 175.3
[M+H-H2O]+ 261.14636 159.2
[M+HCOO]- 323.14730 182.7
[M+CH3COO]- 337.16295 179.3
[M+Na-2H]- 299.12377 170.6
[M]+ 278.14855 169.3
[M]- 278.14965 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.