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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	342.177196	177.2
[M+Na]+	364.159138	186.1
[M-H]-	340.162644	175.6
[M+NH4]+	359.203743	187.4
[M+K]+	380.133078	183.3
[M+H-H2O]+	324.167180	167.9
[M+HCOO]-	386.168121	195.8
[M+CH3COO]-	400.183771	211.9
[M+Na-2H]-	362.144586	179.7
[M]+	341.16937142	185.5
[M]-	341.17046858	185.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.