CID 853502

1,3-dimethyl-8-(piperidin-1-ylmethyl)-7-propyl-1h-purine-2,6(3h,7h)-dione

Structural Information

Molecular Formula
C16H25N5O2
SMILES
CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3
InChI
InChI=1S/C16H25N5O2/c1-4-8-21-12(11-20-9-6-5-7-10-20)17-14-13(21)15(22)19(3)16(23)18(14)2/h4-11H2,1-3H3
InChIKey
OBGWCILBJAEVRE-UHFFFAOYSA-N
Compound name
1,3-dimethyl-8-(piperidin-1-ylmethyl)-7-propylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.20084 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20812 178.4
[M+Na]+ 342.19006 192.1
[M+NH4]+ 337.23466 183.5
[M+K]+ 358.16400 187.4
[M-H]- 318.19356 178.9
[M+Na-2H]- 340.17551 182.1
[M]+ 319.20029 180.3
[M]- 319.20139 180.3
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.