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

38
Patents

246.00752 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01480 150.4
[M+Na]+ 268.99674 163.6
[M-H]- 245.00024 147.6
[M+NH4]+ 264.04134 165.8
[M+K]+ 284.97068 157.1
[M+H-H2O]+ 229.00478 143.8
[M+HCOO]- 291.00572 157.5
[M+CH3COO]- 305.02137 161.8
[M+Na-2H]- 266.98219 156.5
[M]+ 246.00697 153.6
[M]- 246.00807 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