CID 124088

Amdoxovir

Structural Information

Molecular Formula
C9H12N6O3
SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C9H12N6O3/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-17-5(1-16)18-4/h3-5,16H,1-2H2,(H4,10,11,13,14)/t4-,5-/m1/s1
InChIKey
RLAHNGKRJJEIJL-RFZPGFLSSA-N
Compound name
[(2R,4R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

57
References

10878
Patents

252.09709 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10437 153.5
[M+Na]+ 275.08631 163.8
[M-H]- 251.08981 156.7
[M+NH4]+ 270.13091 165.7
[M+K]+ 291.06025 162.1
[M+H-H2O]+ 235.09435 145.2
[M+HCOO]- 297.09529 172.1
[M+CH3COO]- 311.11094 165.2
[M+Na-2H]- 273.07176 157.1
[M]+ 252.09654 154.0
[M]- 252.09764 154.0
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