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

literature stripe

Patent stripe

patents stripe