CID 3011672

Chembl222624

Structural Information

Molecular Formula
C8H10IN5O
SMILES
CC(CN1C=NC2=C(N=C(N=C21)I)N)O
InChI
InChI=1S/C8H10IN5O/c1-4(15)2-14-3-11-5-6(10)12-8(9)13-7(5)14/h3-4,15H,2H2,1H3,(H2,10,12,13)
InChIKey
BNEYUWCBENJBMU-UHFFFAOYSA-N
Compound name
1-(6-amino-2-iodopurin-9-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

318.993 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.00028 149.1
[M+Na]+ 341.98222 153.2
[M-H]- 317.98572 141.3
[M+NH4]+ 337.02682 160.1
[M+K]+ 357.95616 155.3
[M+H-H2O]+ 301.99026 137.7
[M+HCOO]- 363.99120 163.9
[M+CH3COO]- 378.00685 195.7
[M+Na-2H]- 339.96767 143.2
[M]+ 318.99245 147.8
[M]- 318.99355 147.8
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.