CID 3156040

7-benzyl-3-methyl-8-(3-methylpiperidin-1-yl)-1h-purine-2,6(3h,7h)-dione

Structural Information

Molecular Formula
C19H23N5O2
SMILES
CC1CCCN(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C
InChI
InChI=1S/C19H23N5O2/c1-13-7-6-10-23(11-13)18-20-16-15(17(25)21-19(26)22(16)2)24(18)12-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,21,25,26)
InChIKey
CSWWXNONDRMKNW-UHFFFAOYSA-N
Compound name
7-benzyl-3-methyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 186.3
[M+Na]+ 376.17440 201.8
[M+NH4]+ 371.21900 191.8
[M+K]+ 392.14834 196.4
[M-H]- 352.17790 189.2
[M+Na-2H]- 374.15985 192.8
[M]+ 353.18463 189.2
[M]- 353.18573 189.2
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.