CID 126870

Acpd cpd

Structural Information

Molecular Formula
C9H10ClN5O3
SMILES
C1[C@H](O[C@@H](O1)CO)N2C=NC3=C2N=C(N=C3Cl)N
InChI
InChI=1S/C9H10ClN5O3/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,(H2,11,13,14)/t4-,5+/m0/s1
InChIKey
AHZYYPABMTXZCC-CRCLSJGQSA-N
Compound name
[(2R,4S)-4-(2-amino-6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

47
Patents

271.0472 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.054476 157.2
[M+Na]+ 294.036418 168.8
[M-H]- 270.039924 160.3
[M+NH4]+ 289.081023 170.0
[M+K]+ 310.010358 166.2
[M+H-H2O]+ 254.044460 149.2
[M+HCOO]- 316.045401 170.4
[M+CH3COO]- 330.061051 169.0
[M+Na-2H]- 292.021866 160.2
[M]+ 271.04665142 160.9
[M]- 271.04774858 160.9
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.