CID 451773

2'-morpholino-dda

Structural Information

Molecular Formula
C14H20N6O3
SMILES
C1COCCN1[C@@H]2C[C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)CO
InChI
InChI=1S/C14H20N6O3/c15-12-11-13(17-7-16-12)20(8-18-11)14-10(5-9(6-21)23-14)19-1-3-22-4-2-19/h7-10,14,21H,1-6H2,(H2,15,16,17)/t9-,10+,14+/m0/s1
InChIKey
DTKXMMADBGEPJJ-IMSIIYSGSA-N
Compound name
[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-morpholin-4-yloxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1597 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.16698 173.3
[M+Na]+ 343.14892 180.5
[M-H]- 319.15242 177.4
[M+NH4]+ 338.19352 181.1
[M+K]+ 359.12286 177.9
[M+H-H2O]+ 303.15696 163.0
[M+HCOO]- 365.15790 185.4
[M+CH3COO]- 379.17355 182.1
[M+Na-2H]- 341.13437 173.0
[M]+ 320.15915 170.9
[M]- 320.16025 170.9
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.