CID 454989

(-).b.dioxol-2cl6mea

Structural Information

Molecular Formula
C10H12ClN5O3
SMILES
CNC1=C2C(=NC(=N1)Cl)N(C=N2)[C@H]3CO[C@H](O3)CO
InChI
InChI=1S/C10H12ClN5O3/c1-12-8-7-9(15-10(11)14-8)16(4-13-7)5-3-18-6(2-17)19-5/h4-6,17H,2-3H2,1H3,(H,12,14,15)/t5-,6-/m1/s1
InChIKey
WEWNZTRWDZLSGD-PHDIDXHHSA-N
Compound name
[(2R,4R)-4-[2-chloro-6-(methylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.06287 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07015 161.5
[M+Na]+ 308.05209 172.6
[M-H]- 284.05559 164.9
[M+NH4]+ 303.09669 173.9
[M+K]+ 324.02603 170.1
[M+H-H2O]+ 268.06013 153.2
[M+HCOO]- 330.06107 175.0
[M+CH3COO]- 344.07672 173.1
[M+Na-2H]- 306.03754 164.9
[M]+ 285.06232 166.4
[M]- 285.06342 166.4
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.