CID 3065136

106939-22-4

Structural Information

Molecular Formula
C20H33N5O2
SMILES
CCCCCCCCCN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C
InChI
InChI=1S/C20H33N5O2/c1-3-4-5-6-7-8-12-15-25-16-17(23(2)20(27)22-18(16)26)21-19(25)24-13-10-9-11-14-24/h3-15H2,1-2H3,(H,22,26,27)
InChIKey
KQQZBXVSHIUACI-UHFFFAOYSA-N
Compound name
3-methyl-7-nonyl-8-piperidin-1-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

375.26343 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.27071 196.8
[M+Na]+ 398.25265 204.3
[M-H]- 374.25615 195.9
[M+NH4]+ 393.29725 204.5
[M+K]+ 414.22659 196.8
[M+H-H2O]+ 358.26069 185.3
[M+HCOO]- 420.26163 208.9
[M+CH3COO]- 434.27728 218.0
[M+Na-2H]- 396.23810 195.2
[M]+ 375.26288 198.4
[M]- 375.26398 198.4
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.