CID 135446908

4'-c-cyano dino

Structural Information

Molecular Formula
C11H11N5O4
SMILES
C1[C@@H]([C@](O[C@H]1N2C=NC3=C2N=CNC3=O)(CO)C#N)O
InChI
InChI=1S/C11H11N5O4/c12-2-11(3-17)6(18)1-7(20-11)16-5-15-8-9(16)13-4-14-10(8)19/h4-7,17-18H,1,3H2,(H,13,14,19)/t6-,7+,11+/m0/s1
InChIKey
UCESHDCNOANPEQ-MVKOHCKWSA-N
Compound name
(2R,3S,5R)-3-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

277.08112 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08840 154.8
[M+Na]+ 300.07034 167.0
[M-H]- 276.07384 153.6
[M+NH4]+ 295.11494 166.7
[M+K]+ 316.04428 161.8
[M+H-H2O]+ 260.07838 140.0
[M+HCOO]- 322.07932 166.8
[M+CH3COO]- 336.09497 164.1
[M+Na-2H]- 298.05579 157.9
[M]+ 277.08057 150.2
[M]- 277.08167 150.2
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.