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]+ 336.166636 179.7
[M+Na]+ 358.148578 186.0
[M-H]- 334.152084 181.1
[M+NH4]+ 353.193183 182.1
[M+K]+ 374.122518 186.6
[M+H-H2O]+ 318.156620 164.3
[M+HCOO]- 380.157561 194.6
[M+CH3COO]- 394.173211 212.9
[M+Na-2H]- 356.134026 180.6
[M]+ 335.15881142 192.6
[M]- 335.15990858 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.