CID 208419

32150-38-2

Structural Information

Molecular Formula

C₁₆H₂₁N₃O₂

SMILES

CCN(CC)C1=C(N(C(=O)N(C1=O)C)C2=CC=CC=C2)C

InChI

InChI=1S/C16H21N3O2/c1-5-18(6-2)14-12(3)19(13-10-8-7-9-11-13)16(21)17(4)15(14)20/h7-11H,5-6H2,1-4H3

InChIKey

HLXIMLMWUHODOU-UHFFFAOYSA-N

Compound name

5-(diethylamino)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 287.1634 Da
Monoisotopic Mass: 2.4
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]+	288.170676	166.6
[M+Na]+	310.152618	176.7
[M-H]-	286.156124	173.0
[M+NH4]+	305.197223	180.7
[M+K]+	326.126558	173.2
[M+H-H2O]+	270.160660	157.2
[M+HCOO]-	332.161601	189.9
[M+CH3COO]-	346.177251	210.2
[M+Na-2H]-	308.138066	169.7
[M]+	287.16285142	171.3
[M]-	287.16394858	171.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.