CID 208435

Brn 0758200

Structural Information

Molecular Formula

C₁₇H₂₁N₃O₂

SMILES

CC1=C(C(=O)N(C(=O)N1C)C2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C17H21N3O2/c1-13-15(19-11-7-4-8-12-19)16(21)20(17(22)18(13)2)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3

InChIKey

AIMWLOZRRNMGRU-UHFFFAOYSA-N

Compound name

1,6-dimethyl-3-phenyl-5-piperidin-1-ylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 299.1634 Da
Monoisotopic Mass: 2.5
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]+	300.170676	172.2
[M+Na]+	322.152618	180.7
[M-H]-	298.156124	177.9
[M+NH4]+	317.197223	183.1
[M+K]+	338.126558	175.1
[M+H-H2O]+	282.160660	161.0
[M+HCOO]-	344.161601	189.0
[M+CH3COO]-	358.177251	182.4
[M+Na-2H]-	320.138066	174.1
[M]+	299.16285142	170.1
[M]-	299.16394858	170.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.