CID 3109800

7-hexadecyl-3-methyl-8-piperidin-1-yl-3,7-dihydro-purine-2,6-dione

Structural Information

Molecular Formula
C27H47N5O2
SMILES
CCCCCCCCCCCCCCCCN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C
InChI
InChI=1S/C27H47N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32-23-24(30(2)27(34)29-25(23)33)28-26(32)31-20-17-16-18-21-31/h3-22H2,1-2H3,(H,29,33,34)
InChIKey
FHHNMKBNJHNHHG-UHFFFAOYSA-N
Compound name
7-hexadecyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.373 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.38028 225.6
[M+Na]+ 496.36222 229.8
[M-H]- 472.36572 223.3
[M+NH4]+ 491.40682 229.1
[M+K]+ 512.33616 220.9
[M+H-H2O]+ 456.37026 212.7
[M+HCOO]- 518.37120 235.3
[M+CH3COO]- 532.38685 238.1
[M+Na-2H]- 494.34767 220.5
[M]+ 473.37245 229.4
[M]- 473.37355 229.4
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.