CID 122560

32150-76-8

Structural Information

Molecular Formula

C₁₆H₁₉N₃O₂

SMILES

CC1=C(C(=O)N(C(=O)N1CC=C)C2=CC=CC=C2)N(C)C

InChI

InChI=1S/C16H19N3O2/c1-5-11-18-12(2)14(17(3)4)15(20)19(16(18)21)13-9-7-6-8-10-13/h5-10H,1,11H2,2-4H3

InChIKey

JLEMBEDQJILISF-UHFFFAOYSA-N

Compound name

5-(dimethylamino)-6-methyl-3-phenyl-1-prop-2-enylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 285.14774 Da
Monoisotopic Mass: 2.3
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]+	286.15502	165.2
[M+Na]+	308.13696	175.6
[M-H]-	284.14046	171.6
[M+NH4]+	303.18156	179.3
[M+K]+	324.11090	171.4
[M+H-H2O]+	268.14500	155.9
[M+HCOO]-	330.14594	188.6
[M+CH3COO]-	344.16159	209.4
[M+Na-2H]-	306.12241	168.3
[M]+	285.14719	169.2
[M]-	285.14829	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe