CID 9794929

Schembl3039007

Structural Information

Molecular Formula
C11H14N4O3
SMILES
CC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H](C[C@H](O3)CO)O
InChI
InChI=1S/C11H14N4O3/c1-6-9-10(13-4-12-6)15(5-14-9)11-8(17)2-7(3-16)18-11/h4-5,7-8,11,16-17H,2-3H2,1H3/t7-,8+,11+/m0/s1
InChIKey
QRUASKQNYJLSHL-VAOFZXAKSA-N
Compound name
(2R,3R,5S)-5-(hydroxymethyl)-2-(6-methylpurin-9-yl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

250.1066 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11388 154.6
[M+Na]+ 273.09582 165.2
[M-H]- 249.09932 156.4
[M+NH4]+ 268.14042 168.7
[M+K]+ 289.06976 162.3
[M+H-H2O]+ 233.10386 146.7
[M+HCOO]- 295.10480 171.2
[M+CH3COO]- 309.12045 166.3
[M+Na-2H]- 271.08127 156.9
[M]+ 250.10605 156.5
[M]- 250.10715 156.5
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.