CID 49767746

Schembl27087660

Structural Information

Molecular Formula
C10H13N5O4
SMILES
COC1=NC(=NC2=C1N=CN2[C@H]3CO[C@H](O3)CO)N
InChI
InChI=1S/C10H13N5O4/c1-17-9-7-8(13-10(11)14-9)15(4-12-7)5-3-18-6(2-16)19-5/h4-6,16H,2-3H2,1H3,(H2,11,13,14)/t5-,6-/m1/s1
InChIKey
GODKYETZJVVQME-PHDIDXHHSA-N
Compound name
[(2R,4R)-4-(2-amino-6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

267.09674 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 156.6
[M+Na]+ 290.08596 167.0
[M-H]- 266.08946 160.0
[M+NH4]+ 285.13056 168.6
[M+K]+ 306.05990 166.1
[M+H-H2O]+ 250.09400 148.4
[M+HCOO]- 312.09494 174.5
[M+CH3COO]- 326.11059 168.4
[M+Na-2H]- 288.07141 160.0
[M]+ 267.09619 160.3
[M]- 267.09729 160.3
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.