CID 465416

Chembl148871

Structural Information

Molecular Formula
C17H26N4O4
SMILES
CCCCCCOC1=NC=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)CO
InChI
InChI=1S/C17H26N4O4/c1-2-3-4-5-6-24-17-15-16(18-10-19-17)21(11-20-15)14-7-12(8-22)13(9-23)25-14/h10-14,22-23H,2-9H2,1H3/t12-,13-,14-/m1/s1
InChIKey
IZZOUUANOWHSSM-MGPQQGTHSA-N
Compound name
[(2S,3R,5R)-5-(6-hexoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.1954 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20268 183.0
[M+Na]+ 373.18462 190.5
[M-H]- 349.18812 183.7
[M+NH4]+ 368.22922 192.9
[M+K]+ 389.15856 187.1
[M+H-H2O]+ 333.19266 173.8
[M+HCOO]- 395.19360 197.7
[M+CH3COO]- 409.20925 208.1
[M+Na-2H]- 371.17007 182.5
[M]+ 350.19485 188.2
[M]- 350.19595 188.2
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.