CID 217285

38507-11-8

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₃

SMILES

CC1=C(C(=O)N(C(=O)N1C2=CC=CC=C2)CCO)N(C)C

InChI

InChI=1S/C15H19N3O3/c1-11-13(16(2)3)14(20)17(9-10-19)15(21)18(11)12-7-5-4-6-8-12/h4-8,19H,9-10H2,1-3H3

InChIKey

KRABLEGNCHMGDR-UHFFFAOYSA-N

Compound name

5-(dimethylamino)-3-(2-hydroxyethyl)-6-methyl-1-phenylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 289.14264 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]+	290.149916	165.7
[M+Na]+	312.131858	175.7
[M-H]-	288.135364	171.0
[M+NH4]+	307.176463	179.0
[M+K]+	328.105798	172.2
[M+H-H2O]+	272.139900	156.6
[M+HCOO]-	334.140841	188.0
[M+CH3COO]-	348.156491	207.0
[M+Na-2H]-	310.117306	169.0
[M]+	289.14209142	169.7
[M]-	289.14318858	169.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.