CID 387981

164672-56-4

Structural Information

Molecular Formula
C11H14ClN5O3
SMILES
CC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)N)(C)O)O
InChI
InChI=1S/C11H14ClN5O3/c1-4-6(18)11(2,19)9(20-4)17-3-14-5-7(13)15-10(12)16-8(5)17/h3-4,6,9,18-19H,1-2H3,(H2,13,15,16)
InChIKey
VGXNTNGMCOCQAZ-UHFFFAOYSA-N
Compound name
2-(6-amino-2-chloropurin-9-yl)-3,5-dimethyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07852 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08580 164.4
[M+Na]+ 322.06774 177.4
[M-H]- 298.07124 166.7
[M+NH4]+ 317.11234 179.4
[M+K]+ 338.04168 173.0
[M+H-H2O]+ 282.07578 157.7
[M+HCOO]- 344.07672 176.7
[M+CH3COO]- 358.09237 176.0
[M+Na-2H]- 320.05319 166.0
[M]+ 299.07797 167.8
[M]- 299.07907 167.8
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.