CID 279628

4873-93-2

Structural Information

Molecular Formula
C13H19N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3CCCCC3
InChI
InChI=1S/C13H19N5O2/c1-15-11-10(12(19)16(2)13(15)20)18(8-14-11)9-17-6-4-3-5-7-17/h8H,3-7,9H2,1-2H3
InChIKey
PDJBQTXZAKKRHR-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-(piperidin-1-ylmethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.15387 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.161146 166.2
[M+Na]+ 300.143088 177.5
[M-H]- 276.146594 167.9
[M+NH4]+ 295.187693 178.7
[M+K]+ 316.117028 172.3
[M+H-H2O]+ 260.151130 155.9
[M+HCOO]- 322.152071 182.3
[M+CH3COO]- 336.167721 177.0
[M+Na-2H]- 298.128536 168.5
[M]+ 277.15332142 167.4
[M]- 277.15441858 167.4
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