CID 135427229

9-(3'-c-cyano-2',3'-didehydro-3'-deoxy-l-furanosyl)inosine

Structural Information

Molecular Formula
C11H9N5O3
SMILES
C1=C([C@@H](O[C@@H]1N2C=NC3=C2N=CNC3=O)CO)C#N
InChI
InChI=1S/C11H9N5O3/c12-2-6-1-8(19-7(6)3-17)16-5-15-9-10(16)13-4-14-11(9)18/h1,4-5,7-8,17H,3H2,(H,13,14,18)/t7-,8-/m0/s1
InChIKey
YCUQZACUJDCYMR-YUMQZZPRSA-N
Compound name
(2R,5S)-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)-2,5-dihydrofuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.07053 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07781 152.1
[M+Na]+ 282.05975 164.6
[M-H]- 258.06325 151.7
[M+NH4]+ 277.10435 163.4
[M+K]+ 298.03369 159.6
[M+H-H2O]+ 242.06779 136.3
[M+HCOO]- 304.06873 166.3
[M+CH3COO]- 318.08438 162.0
[M+Na-2H]- 280.04520 154.8
[M]+ 259.06998 148.5
[M]- 259.07108 148.5
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.