CID 6482630

Schembl10483440

Structural Information

Molecular Formula
C11H11N5O4
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C#N
InChI
InChI=1S/C11H11N5O4/c12-1-5-7-10(14-3-13-5)16(4-15-7)11-9(19)8(18)6(2-17)20-11/h3-4,6,8-9,11,17-19H,2H2/t6-,8-,9-,11-/m1/s1
InChIKey
YLCGZUXYPRSKEB-PNHWDRBUSA-N
Compound name
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

277.08112 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08840 155.0
[M+Na]+ 300.07034 166.4
[M-H]- 276.07384 153.6
[M+NH4]+ 295.11494 165.2
[M+K]+ 316.04428 162.3
[M+H-H2O]+ 260.07838 139.8
[M+HCOO]- 322.07932 166.7
[M+CH3COO]- 336.09497 164.1
[M+Na-2H]- 298.05579 156.3
[M]+ 277.08057 150.9
[M]- 277.08167 150.9
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.