CID 15957689

Chembl3250896

Structural Information

Molecular Formula
C24H41N5O3
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CN1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C24H41N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(31)32-17-20(30)16-29-19-28-22-23(25)26-18-27-24(22)29/h18-20,30H,2-17H2,1H3,(H2,25,26,27)
InChIKey
BNVJJDZQWHEEQX-UHFFFAOYSA-N
Compound name
[3-(6-aminopurin-9-yl)-2-hydroxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

447.32095 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.32823 214.8
[M+Na]+ 470.31017 217.6
[M-H]- 446.31367 210.7
[M+NH4]+ 465.35477 220.1
[M+K]+ 486.28411 212.0
[M+H-H2O]+ 430.31821 203.5
[M+HCOO]- 492.31915 228.7
[M+CH3COO]- 506.33480 234.0
[M+Na-2H]- 468.29562 212.5
[M]+ 447.32040 222.2
[M]- 447.32150 222.2
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.