CID 16074521

1-allyl-5-isopropyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula

C₂₁H₂₀N₂O₃

SMILES

CC(C)C1=C(N(C(=O)NC1=O)CC=C)C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H20N2O3/c1-4-12-23-18(17(13(2)3)20(25)22-21(23)26)19(24)16-11-7-9-14-8-5-6-10-15(14)16/h4-11,13H,1,12H2,2-3H3,(H,22,25,26)

InChIKey

QOOQFZRGNHFQQF-UHFFFAOYSA-N

Compound name

6-(naphthalene-1-carbonyl)-5-propan-2-yl-1-prop-2-enylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 348.1474 Da
Monoisotopic Mass: 3.8
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]+	349.154676	182.4
[M+Na]+	371.136618	191.5
[M-H]-	347.140124	186.4
[M+NH4]+	366.181223	193.2
[M+K]+	387.110558	184.7
[M+H-H2O]+	331.144660	172.8
[M+HCOO]-	393.145601	199.0
[M+CH3COO]-	407.161251	214.7
[M+Na-2H]-	369.122066	183.6
[M]+	348.14685142	183.9
[M]-	348.14794858	183.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.