CID 3011676

Chembl374442

Structural Information

Molecular Formula
C10H10ClFN4O2
SMILES
CC(CN1C=NC2=C1N=C(N=C2Cl)F)OC(=O)C
InChI
InChI=1S/C10H10ClFN4O2/c1-5(18-6(2)17)3-16-4-13-7-8(11)14-10(12)15-9(7)16/h4-5H,3H2,1-2H3
InChIKey
DVSCVIXDBKEKOX-UHFFFAOYSA-N
Compound name
1-(6-chloro-2-fluoropurin-9-yl)propan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

272.04764 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05492 154.2
[M+Na]+ 295.03686 166.6
[M-H]- 271.04036 153.1
[M+NH4]+ 290.08146 169.2
[M+K]+ 311.01080 162.3
[M+H-H2O]+ 255.04490 145.2
[M+HCOO]- 317.04584 168.0
[M+CH3COO]- 331.06149 196.7
[M+Na-2H]- 293.02231 157.8
[M]+ 272.04709 160.2
[M]- 272.04819 160.2
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.