CID 135465381

Chembl288268

Structural Information

Molecular Formula
C10H16N6O3
SMILES
C1=NC2=C(N1COCCNCCO)N=C(NC2=O)N
InChI
InChI=1S/C10H16N6O3/c11-10-14-8-7(9(18)15-10)13-5-16(8)6-19-4-2-12-1-3-17/h5,12,17H,1-4,6H2,(H3,11,14,15,18)
InChIKey
KSGFQOOXAMYZAS-UHFFFAOYSA-N
Compound name
2-amino-9-[2-(2-hydroxyethylamino)ethoxymethyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.1284 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13568 156.5
[M+Na]+ 291.11762 165.8
[M-H]- 267.12112 153.8
[M+NH4]+ 286.16222 168.6
[M+K]+ 307.09156 161.2
[M+H-H2O]+ 251.12566 147.7
[M+HCOO]- 313.12660 176.7
[M+CH3COO]- 327.14225 196.6
[M+Na-2H]- 289.10307 163.0
[M]+ 268.12785 158.4
[M]- 268.12895 158.4
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.