CID 510146

(2r,5s)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2,5-dihydrofuran-3-carbonitrile

Structural Information

Molecular Formula
C11H10N6O2
SMILES
C1=C([C@@H](O[C@@H]1N2C=NC3=C(N=CN=C32)N)CO)C#N
InChI
InChI=1S/C11H10N6O2/c12-2-6-1-8(19-7(6)3-18)17-5-16-9-10(13)14-4-15-11(9)17/h1,4-5,7-8,18H,3H2,(H2,13,14,15)/t7-,8-/m0/s1
InChIKey
PWRVMFGDZRBFBV-YUMQZZPRSA-N
Compound name
(2R,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2,5-dihydrofuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.08652 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09380 152.5
[M+Na]+ 281.07574 164.4
[M-H]- 257.07924 152.8
[M+NH4]+ 276.12034 164.1
[M+K]+ 297.04968 160.0
[M+H-H2O]+ 241.08378 136.2
[M+HCOO]- 303.08472 168.1
[M+CH3COO]- 317.10037 162.4
[M+Na-2H]- 279.06119 155.4
[M]+ 258.08597 148.5
[M]- 258.08707 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.