CID 481105

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

Structural Information

Molecular Formula
C15H21N5O4
SMILES
CCCCC(=O)OC[C@@H]1[C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C15H21N5O4/c1-2-3-4-11(22)23-6-10-9(5-21)15(24-10)20-8-19-12-13(16)17-7-18-14(12)20/h7-10,15,21H,2-6H2,1H3,(H2,16,17,18)/t9-,10-,15-/m1/s1
InChIKey
BNOBKDYNFRVCJX-IQMDTDKHSA-N
Compound name
[(2S,3R,4R)-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.15936 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.16664 179.7
[M+Na]+ 358.14858 186.0
[M-H]- 334.15208 181.1
[M+NH4]+ 353.19318 182.1
[M+K]+ 374.12252 186.6
[M+H-H2O]+ 318.15662 164.3
[M+HCOO]- 380.15756 194.6
[M+CH3COO]- 394.17321 212.9
[M+Na-2H]- 356.13403 180.6
[M]+ 335.15881 192.6
[M]- 335.15991 192.6
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.