CID 477849

Nsc690393

Structural Information

Molecular Formula
C11H14N4O3
SMILES
C[C@]1([C@H](C[C@@H](O1)N2C=NC3=CN=CN=C32)O)CO
InChI
InChI=1S/C11H14N4O3/c1-11(4-16)8(17)2-9(18-11)15-6-14-7-3-12-5-13-10(7)15/h3,5-6,8-9,16-17H,2,4H2,1H3/t8-,9+,11+/m0/s1
InChIKey
QKZPASHLIBOARS-IQJOONFLSA-N
Compound name
(2R,3S,5R)-2-(hydroxymethyl)-2-methyl-5-purin-9-yloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

250.1066 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11388 152.7
[M+Na]+ 273.09582 163.4
[M-H]- 249.09932 154.5
[M+NH4]+ 268.14042 168.6
[M+K]+ 289.06976 160.9
[M+H-H2O]+ 233.10386 144.9
[M+HCOO]- 295.10480 169.4
[M+CH3COO]- 309.12045 164.6
[M+Na-2H]- 271.08127 157.1
[M]+ 250.10605 154.6
[M]- 250.10715 154.6
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.