CID 25244905

(2r,3s,4r,5s)-2-(7-amino-2,3-dihydro-1h-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Structural Information

Molecular Formula
C10H15N5O4
SMILES
C1=NC2=C(C(=N1)N)NNC2[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O
InChI
InChI=1S/C10H15N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,5,7-9,14-18H,1H2,(H2,11,12,13)/t3-,5?,7-,8-,9+/m0/s1
InChIKey
SIVHFRZJFCASNV-JPWDWCJRSA-N
Compound name
(2R,3S,4R,5S)-2-(7-amino-2,3-dihydro-1H-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

269.1124 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11968 160.5
[M+Na]+ 292.10162 167.9
[M-H]- 268.10512 157.9
[M+NH4]+ 287.14622 171.2
[M+K]+ 308.07556 163.7
[M+H-H2O]+ 252.10966 153.4
[M+HCOO]- 314.11060 170.7
[M+CH3COO]- 328.12625 168.9
[M+Na-2H]- 290.08707 159.6
[M]+ 269.11185 154.4
[M]- 269.11295 154.4
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.