CID 512707

2'-deoxyformycin

Structural Information

Molecular Formula
C10H13N5O3
SMILES
C1[C@@H]([C@H](O[C@H]1C2=C3C(=NN2)C(=NC=N3)N)CO)O
InChI
InChI=1S/C10H13N5O3/c11-10-9-8(12-3-13-10)7(14-15-9)5-1-4(17)6(2-16)18-5/h3-6,16-17H,1-2H2,(H,14,15)(H2,11,12,13)/t4-,5+,6+/m0/s1
InChIKey
OHPIJEVWOFSAIQ-KVQBGUIXSA-N
Compound name
(2R,3S,5R)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

416
Patents

251.10184 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 153.7
[M+Na]+ 274.09106 163.4
[M-H]- 250.09456 154.0
[M+NH4]+ 269.13566 166.5
[M+K]+ 290.06500 159.6
[M+H-H2O]+ 234.09910 145.9
[M+HCOO]- 296.10004 169.6
[M+CH3COO]- 310.11569 164.4
[M+Na-2H]- 272.07651 156.0
[M]+ 251.10129 152.0
[M]- 251.10239 152.0
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

patents stripe