CID 1036712

114890-70-9

Structural Information

Molecular Formula
C20H23N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H23N5O3/c1-22-17-16(18(27)23(2)20(22)28)25(13-15(26)14-9-5-3-6-10-14)19(21-17)24-11-7-4-8-12-24/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKey
JKUIACWEVNFLDE-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-phenacyl-8-piperidin-1-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.18008 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18736 191.0
[M+Na]+ 404.16930 206.0
[M+NH4]+ 399.21390 195.7
[M+K]+ 420.14324 201.4
[M-H]- 380.17280 193.4
[M+Na-2H]- 402.15475 197.1
[M]+ 381.17953 193.6
[M]- 381.18063 193.6
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.