CID 86667370

2-(2,6-dichloro-9h-purin-8-yl)propan-2-ol

Structural Information

Molecular Formula
C8H8Cl2N4O
SMILES
CC(C)(C1=NC2=C(N1)C(=NC(=N2)Cl)Cl)O
InChI
InChI=1S/C8H8Cl2N4O/c1-8(2,15)6-11-3-4(9)12-7(10)14-5(3)13-6/h15H,1-2H3,(H,11,12,13,14)
InChIKey
APQFJZPUVYVAQC-UHFFFAOYSA-N
Compound name
2-(2,6-dichloro-7H-purin-8-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

246.00752 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.014796 150.4
[M+Na]+ 268.996738 163.6
[M-H]- 245.000244 147.6
[M+NH4]+ 264.041343 165.8
[M+K]+ 284.970678 157.1
[M+H-H2O]+ 229.004780 143.8
[M+HCOO]- 291.005721 157.5
[M+CH3COO]- 305.021371 161.8
[M+Na-2H]- 266.982186 156.5
[M]+ 246.00697142 153.6
[M]- 246.00806858 153.6
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

patents stripe