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

literature stripe

Patent stripe

patents stripe