CID 452765

3'-pyrrilidino-da

Structural Information

Molecular Formula
C14H20N6O3
SMILES
C1CCN(C1)[C@@H]2[C@H](O[C@H]([C@H]2O)N3C=NC4=C(N=CN=C43)N)CO
InChI
InChI=1S/C14H20N6O3/c15-12-9-13(17-6-16-12)20(7-18-9)14-11(22)10(8(5-21)23-14)19-3-1-2-4-19/h6-8,10-11,14,21-22H,1-5H2,(H2,15,16,17)/t8-,10-,11+,14-/m1/s1
InChIKey
USMBLWBQWVSNBN-GCDPNZCJSA-N
Compound name
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-pyrrolidin-1-yloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1597 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.16698 171.2
[M+Na]+ 343.14892 179.2
[M-H]- 319.15242 175.0
[M+NH4]+ 338.19352 182.0
[M+K]+ 359.12286 175.9
[M+H-H2O]+ 303.15696 162.5
[M+HCOO]- 365.15790 185.4
[M+CH3COO]- 379.17355 180.6
[M+Na-2H]- 341.13437 168.3
[M]+ 320.15915 169.4
[M]- 320.16025 169.4
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.