CID 481077

Chembl75918

Structural Information

Molecular Formula
C14H23N5O5
SMILES
CCOC(CN1C(=O)C2=C(N=C1N)N(C=N2)COCCO)OCC
InChI
InChI=1S/C14H23N5O5/c1-3-23-10(24-4-2)7-19-13(21)11-12(17-14(19)15)18(8-16-11)9-22-6-5-20/h8,10,20H,3-7,9H2,1-2H3,(H2,15,17)
InChIKey
KUVVDOKDEGBWKK-UHFFFAOYSA-N
Compound name
2-amino-1-(2,2-diethoxyethyl)-9-(2-hydroxyethoxymethyl)purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.16992 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17720 177.2
[M+Na]+ 364.15914 186.1
[M-H]- 340.16264 175.6
[M+NH4]+ 359.20374 187.4
[M+K]+ 380.13308 183.3
[M+H-H2O]+ 324.16718 167.9
[M+HCOO]- 386.16812 195.8
[M+CH3COO]- 400.18377 211.9
[M+Na-2H]- 362.14459 179.7
[M]+ 341.16937 185.5
[M]- 341.17047 185.5
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.