CID 493156

Formycine a

Structural Information

Molecular Formula
C10H14N6O4
SMILES
C([C@@H]1[C@H]([C@H]([C@H](O1)C2=C3C(=NN2)C(=NC(=N3)N)N)O)O)O
InChI
InChI=1S/C10H14N6O4/c11-9-5-3(13-10(12)14-9)4(15-16-5)8-7(19)6(18)2(1-17)20-8/h2,6-8,17-19H,1H2,(H,15,16)(H4,11,12,13,14)/t2-,6-,7-,8-/m1/s1
InChIKey
WQBFKZKPIQCPJO-QWLSYEPQSA-N
Compound name
(2R,3R,4S,5R)-2-(5,7-diamino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.10767 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11495 161.6
[M+Na]+ 305.09689 171.4
[M-H]- 281.10039 161.3
[M+NH4]+ 300.14149 172.4
[M+K]+ 321.07083 167.3
[M+H-H2O]+ 265.10493 154.3
[M+HCOO]- 327.10587 176.6
[M+CH3COO]- 341.12152 171.4
[M+Na-2H]- 303.08234 162.2
[M]+ 282.10712 159.0
[M]- 282.10822 159.0
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.