CID 135499553

2-amino-9-(2(r)-hydroxymethyl-1,3-dioxolan-4(s)-yloxy)-9h-purin-6(1h)-one

Structural Information

Molecular Formula
C9H11N5O5
SMILES
C1[C@@H](O[C@@H](O1)CO)ON2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C9H11N5O5/c10-9-12-7-6(8(16)13-9)11-3-14(7)19-5-2-17-4(1-15)18-5/h3-5,15H,1-2H2,(H3,10,12,13,16)/t4-,5+/m1/s1
InChIKey
ZYDOKCBPPADECG-UHNVWZDZSA-N
Compound name
2-amino-9-[[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]oxy]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.07602 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08330 154.2
[M+Na]+ 292.06524 164.6
[M-H]- 268.06874 156.5
[M+NH4]+ 287.10984 165.3
[M+K]+ 308.03918 163.2
[M+H-H2O]+ 252.07328 146.3
[M+HCOO]- 314.07422 171.3
[M+CH3COO]- 328.08987 165.7
[M+Na-2H]- 290.05069 157.8
[M]+ 269.07547 156.5
[M]- 269.07657 156.5
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

No patent data available for this compound.