CID 1089316

3-methyl-8-(4-methylpiperidin-1-yl)-7-(3-phenylpropyl)-1h-purine-2,6(3h,7h)-dione

Structural Information

Molecular Formula
C21H27N5O2
SMILES
CC1CCN(CC1)C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C
InChI
InChI=1S/C21H27N5O2/c1-15-10-13-25(14-11-15)20-22-18-17(19(27)23-21(28)24(18)2)26(20)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,23,27,28)
InChIKey
ZKAGAMSWOMCGOW-UHFFFAOYSA-N
Compound name
3-methyl-8-(4-methylpiperidin-1-yl)-7-(3-phenylpropyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

381.21646 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.22374 195.0
[M+Na]+ 404.20568 210.1
[M+NH4]+ 399.25028 200.2
[M+K]+ 420.17962 204.2
[M-H]- 380.20918 197.9
[M+Na-2H]- 402.19113 201.0
[M]+ 381.21591 197.9
[M]- 381.21701 197.9
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.