CID 1089313

575463-32-0

Structural Information

Molecular Formula
C19H23N5O2
SMILES
CC1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C
InChI
InChI=1S/C19H23N5O2/c1-13-8-10-23(11-9-13)18-20-16-15(17(25)21-19(26)22(16)2)24(18)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,21,25,26)
InChIKey
FGGHRIPENMFTQC-UHFFFAOYSA-N
Compound name
7-benzyl-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

353.18518 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19246 188.5
[M+Na]+ 376.17440 198.7
[M-H]- 352.17790 192.0
[M+NH4]+ 371.21900 196.7
[M+K]+ 392.14834 190.5
[M+H-H2O]+ 336.18244 176.7
[M+HCOO]- 398.18338 202.1
[M+CH3COO]- 412.19903 197.1
[M+Na-2H]- 374.15985 188.7
[M]+ 353.18463 187.6
[M]- 353.18573 187.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.