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

literature stripe

Patent stripe

patents stripe