CID 202122

7532-45-8

Structural Information

Molecular Formula
C15H23N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCCCC3)O
InChI
InChI=1S/C15H23N5O3/c1-17-13-12(14(22)18(2)15(17)23)20(10-16-13)9-11(21)8-19-6-4-3-5-7-19/h10-11,21H,3-9H2,1-2H3
InChIKey
IDTWEVXNTRCGBP-UHFFFAOYSA-N
Compound name
7-(2-hydroxy-3-piperidin-1-ylpropyl)-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.18008 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18736 176.2
[M+Na]+ 344.16930 188.3
[M+NH4]+ 339.21390 180.4
[M+K]+ 360.14324 185.5
[M-H]- 320.17280 175.5
[M+Na-2H]- 342.15475 179.1
[M]+ 321.17953 177.3
[M]- 321.18063 177.3
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.