CID 5273495

5-hydroxymethyl-3-methyl-2-(6-morpholin-4-yl-purin-9-yl)-tetrahydro-furan-3,4-diol

Structural Information

Molecular Formula
C15H21N5O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N4CCOCC4)CO)O)O
InChI
InChI=1S/C15H21N5O5/c1-15(23)11(22)9(6-21)25-14(15)20-8-18-10-12(16-7-17-13(10)20)19-2-4-24-5-3-19/h7-9,11,14,21-23H,2-6H2,1H3/t9-,11-,14-,15-/m1/s1
InChIKey
OWTKPVATQXNRGO-NZQZLILVSA-N
Compound name
(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(6-morpholin-4-ylpurin-9-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.15427 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16155 179.6
[M+Na]+ 374.14349 187.8
[M-H]- 350.14699 182.2
[M+NH4]+ 369.18809 187.5
[M+K]+ 390.11743 185.5
[M+H-H2O]+ 334.15153 170.6
[M+HCOO]- 396.15247 188.4
[M+CH3COO]- 410.16812 188.0
[M+Na-2H]- 372.12894 179.2
[M]+ 351.15372 179.2
[M]- 351.15482 179.2
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.