CID 25067320

2-amino-8-bromo-9-isopentyl-5h-purin-6(9h)-one

Structural Information

Molecular Formula
C10H14BrN5O
SMILES
CC(C)CCN1C2=NC(=NC(=O)C2N=C1Br)N
InChI
InChI=1S/C10H14BrN5O/c1-5(2)3-4-16-7-6(13-9(16)11)8(17)15-10(12)14-7/h5-6H,3-4H2,1-2H3,(H2,12,15,17)
InChIKey
LRMUCKSYDISBAL-UHFFFAOYSA-N
Compound name
2-amino-8-bromo-9-(3-methylbutyl)-5H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.03818 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04546 158.9
[M+Na]+ 322.02740 171.8
[M-H]- 298.03090 161.2
[M+NH4]+ 317.07200 175.6
[M+K]+ 338.00134 159.9
[M+H-H2O]+ 282.03544 156.8
[M+HCOO]- 344.03638 174.8
[M+CH3COO]- 358.05203 203.2
[M+Na-2H]- 320.01285 162.7
[M]+ 299.03763 177.8
[M]- 299.03873 177.8
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.