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]+ 278.16115 167.7
[M+Na]+ 300.14309 179.5
[M-H]- 276.14659 168.5
[M+NH4]+ 295.18769 179.8
[M+K]+ 316.11703 173.4
[M+H-H2O]+ 260.15113 158.1
[M+HCOO]- 322.15207 182.3
[M+CH3COO]- 336.16772 178.2
[M+Na-2H]- 298.12854 168.8
[M]+ 277.15332 167.6
[M]- 277.15442 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.