CID 700071

376624-63-4

Structural Information

Molecular Formula

C₁₁H₁₅N₅O₂

SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CC=C

InChI

InChI=1S/C11H15N5O2/c1-5-6-16-7-8(12-10(16)14(2)3)15(4)11(18)13-9(7)17/h5H,1,6H2,2-4H3,(H,13,17,18)

InChIKey

ZMNHTANGIBEQQG-UHFFFAOYSA-N

Compound name

8-(dimethylamino)-3-methyl-7-prop-2-enylpurine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 249.12257 Da
Monoisotopic Mass: 0.6
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]+	250.129846	155.5
[M+Na]+	272.111788	168.6
[M-H]-	248.115294	156.7
[M+NH4]+	267.156393	171.0
[M+K]+	288.085728	164.3
[M+H-H2O]+	232.119830	147.5
[M+HCOO]-	294.120771	177.0
[M+CH3COO]-	308.136421	199.2
[M+Na-2H]-	270.097236	159.7
[M]+	249.12202142	160.6
[M]-	249.12311858	160.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.