CID 135434791

Chembl284298

Structural Information

Molecular Formula
C10H15N5O3
SMILES
C1=NC2=C(N1CC[C@@H](CCO)O)N=C(NC2=O)N
InChI
InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)3-1-6(17)2-4-16/h5-6,16-17H,1-4H2,(H3,11,13,14,18)/t6-/m0/s1
InChIKey
OQAWLTUIWVZUEY-LURJTMIESA-N
Compound name
2-amino-9-[(3S)-3,5-dihydroxypentyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

253.1175 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12478 155.8
[M+Na]+ 276.10672 165.3
[M-H]- 252.11022 151.8
[M+NH4]+ 271.15132 168.1
[M+K]+ 292.08066 160.4
[M+H-H2O]+ 236.11476 147.8
[M+HCOO]- 298.11570 172.4
[M+CH3COO]- 312.13135 190.0
[M+Na-2H]- 274.09217 159.8
[M]+ 253.11695 156.0
[M]- 253.11805 156.0
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.