CID 120488

964-56-7

Structural Information

Molecular Formula
C13H19N5O2
SMILES
CN1CCC(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C13H19N5O2/c1-16-6-4-8(5-7-16)10-14-9-11(15-10)17(2)13(20)18(3)12(9)19/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
FHPBFRJIQAXEFX-UHFFFAOYSA-N
Compound name
1,3-dimethyl-8-(1-methylpiperidin-4-yl)-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.15387 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.161146 167.7
[M+Na]+ 300.143088 179.5
[M-H]- 276.146594 168.5
[M+NH4]+ 295.187693 179.8
[M+K]+ 316.117028 173.4
[M+H-H2O]+ 260.151130 158.1
[M+HCOO]- 322.152071 182.3
[M+CH3COO]- 336.167721 178.2
[M+Na-2H]- 298.128536 168.8
[M]+ 277.15332142 167.6
[M]- 277.15441858 167.6
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.