CID 15276896

152540-77-7

Structural Information

Molecular Formula
C11H15N5O3
SMILES
C[C@]1([C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)CO
InChI
InChI=1S/C11H15N5O3/c1-11(3-17)6(18)2-7(19-11)16-5-15-8-9(12)13-4-14-10(8)16/h4-7,17-18H,2-3H2,1H3,(H2,12,13,14)/t6-,7+,11+/m0/s1
InChIKey
WPXKUXVYGAKMJI-MVKOHCKWSA-N
Compound name
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

265.1175 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 156.6
[M+Na]+ 288.10672 167.3
[M-H]- 264.11022 158.4
[M+NH4]+ 283.15132 171.6
[M+K]+ 304.08066 164.4
[M+H-H2O]+ 248.11476 149.0
[M+HCOO]- 310.11570 173.8
[M+CH3COO]- 324.13135 168.1
[M+Na-2H]- 286.09217 160.2
[M]+ 265.11695 157.4
[M]- 265.11805 157.4
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

patents stripe