CID 492032

Chembl59757

Structural Information

Molecular Formula
C11H15N5O3
SMILES
C1[C@@H](CO[C@@H]([C@H]1O)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H15N5O3/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(18)8(2-17)19-3-6/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7-,8+/m0/s1
InChIKey
FVSBOJWVDIPQPA-BIIVOSGPSA-N
Compound name
(2R,3S,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

265.1175 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 159.7
[M+Na]+ 288.10672 168.7
[M-H]- 264.11022 160.4
[M+NH4]+ 283.15132 170.6
[M+K]+ 304.08066 165.0
[M+H-H2O]+ 248.11476 150.5
[M+HCOO]- 310.11570 174.4
[M+CH3COO]- 324.13135 169.8
[M+Na-2H]- 286.09217 163.7
[M]+ 265.11695 157.8
[M]- 265.11805 157.8
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.