CID 511887

2'-o-methyl formycin a

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1C2=C3C(=NN2)C(=NC=N3)N)CO)O
InChI
InChI=1S/C11H15N5O4/c1-19-10-8(18)4(2-17)20-9(10)6-5-7(16-15-6)11(12)14-3-13-5/h3-4,8-10,17-18H,2H2,1H3,(H,15,16)(H2,12,13,14)/t4-,8-,9+,10-/m1/s1
InChIKey
QUQLMMYQBQDKKH-KSARGPATSA-N
Compound name
(2R,3R,4R,5S)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.1124 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 161.4
[M+Na]+ 304.10162 171.2
[M-H]- 280.10512 162.0
[M+NH4]+ 299.14622 173.1
[M+K]+ 320.07556 167.8
[M+H-H2O]+ 264.10966 153.6
[M+HCOO]- 326.11060 177.1
[M+CH3COO]- 340.12625 171.8
[M+Na-2H]- 302.08707 162.7
[M]+ 281.11185 161.8
[M]- 281.11295 161.8
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.