CID 214269

27979-67-5

Structural Information

Molecular Formula

C₁₄H₂₃N₅O₂

SMILES

CCN(CC)CC1=NC2=C(N1C)C(=O)N=C(N2C)OCC

InChI

InChI=1S/C14H23N5O2/c1-6-19(7-2)9-10-15-12-11(17(10)4)13(20)16-14(18(12)5)21-8-3/h6-9H2,1-5H3

InChIKey

GOJRLLRYSLLIOI-UHFFFAOYSA-N

Compound name

8-(diethylaminomethyl)-2-ethoxy-3,7-dimethylpurin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.18518 Da
Monoisotopic Mass: 1.0
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]+	294.192456	170.3
[M+Na]+	316.174398	181.9
[M-H]-	292.177904	172.2
[M+NH4]+	311.219003	184.8
[M+K]+	332.148338	178.9
[M+H-H2O]+	276.182440	161.2
[M+HCOO]-	338.183381	191.9
[M+CH3COO]-	352.199031	211.9
[M+Na-2H]-	314.159846	173.3
[M]+	293.18463142	179.5
[M]-	293.18572858	179.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.