CID 934258

716334-01-9

Structural Information

Molecular Formula
C16H23N5O2
SMILES
CC1CCN(CC1)C2=NC3=C(N2CC(=C)C)C(=O)NC(=O)N3C
InChI
InChI=1S/C16H23N5O2/c1-10(2)9-21-12-13(19(4)16(23)18-14(12)22)17-15(21)20-7-5-11(3)6-8-20/h11H,1,5-9H2,2-4H3,(H,18,22,23)
InChIKey
IVZCUAHAZZWRRM-UHFFFAOYSA-N
Compound name
3-methyl-8-(4-methylpiperidin-1-yl)-7-(2-methylprop-2-enyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.18518 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19246 179.1
[M+Na]+ 340.17440 189.5
[M-H]- 316.17790 179.6
[M+NH4]+ 335.21900 189.4
[M+K]+ 356.14834 182.8
[M+H-H2O]+ 300.18244 169.3
[M+HCOO]- 362.18338 191.9
[M+CH3COO]- 376.19903 207.9
[M+Na-2H]- 338.15985 177.8
[M]+ 317.18463 178.7
[M]- 317.18573 178.7
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.