CID 2392273

565193-15-9

Structural Information

Molecular Formula

C₁₃H₁₆N₄O₂

SMILES

CCNC1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

InChI

InChI=1S/C13H16N4O2/c1-2-15-10-11(14)17(13(19)16-12(10)18)8-9-6-4-3-5-7-9/h3-7,15H,2,8,14H2,1H3,(H,16,18,19)

InChIKey

DHIDSSFRXLUFLN-UHFFFAOYSA-N

Compound name

6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 260.12732 Da
Monoisotopic Mass: 0.8
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]+	261.13460	159.0
[M+Na]+	283.11654	168.1
[M-H]-	259.12004	162.2
[M+NH4]+	278.16114	172.0
[M+K]+	299.09048	162.5
[M+H-H2O]+	243.12458	150.1
[M+HCOO]-	305.12552	181.7
[M+CH3COO]-	319.14117	198.9
[M+Na-2H]-	281.10199	164.1
[M]+	260.12677	157.5
[M]-	260.12787	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe