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

literature stripe

Patent stripe

patents stripe