CID 481106

[(2s,3r,4r)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl hexadecanoate

Structural Information

Molecular Formula
C26H43N5O4
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C26H43N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(33)34-17-21-20(16-32)26(35-21)31-19-30-23-24(27)28-18-29-25(23)31/h18-21,26,32H,2-17H2,1H3,(H2,27,28,29)/t20-,21-,26-/m1/s1
InChIKey
LSNFXEXSUONWLA-IPVFLDMMSA-N
Compound name
[(2S,3R,4R)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.3315 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.33878 227.8
[M+Na]+ 512.32072 228.8
[M-H]- 488.32422 227.0
[M+NH4]+ 507.36532 223.7
[M+K]+ 528.29466 227.4
[M+H-H2O]+ 472.32876 210.1
[M+HCOO]- 534.32970 238.8
[M+CH3COO]- 548.34535 243.6
[M+Na-2H]- 510.30617 223.1
[M]+ 489.33095 243.9
[M]- 489.33205 243.9
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.