CID 126342

1-acetyl-3,2-toluyl-5-fluorouracil

Structural Information

Molecular Formula

C₁₄H₁₁FN₂O₄

SMILES

CC1=CC=CC=C1C(=O)N2C(=O)C(=CN(C2=O)C(=O)C)F

InChI

InChI=1S/C14H11FN2O4/c1-8-5-3-4-6-10(8)12(19)17-13(20)11(15)7-16(9(2)18)14(17)21/h3-7H,1-2H3

InChIKey

DRXHAKVGNKHFMB-UHFFFAOYSA-N

Compound name

1-acetyl-5-fluoro-3-(2-methylbenzoyl)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 221
Patents: 290.07028 Da
Monoisotopic Mass: 1.3
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]+	291.07756	163.5
[M+Na]+	313.05950	177.2
[M+NH4]+	308.10410	167.9
[M+K]+	329.03344	172.4
[M-H]-	289.06300	163.2
[M+Na-2H]-	311.04495	169.2
[M]+	290.06973	165.1
[M]-	290.07083	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe