CID 39065

Tolimidone

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

CC1=CC(=CC=C1)OC2=CNC(=O)N=C2

InChI

InChI=1S/C11H10N2O2/c1-8-3-2-4-9(5-8)15-10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)

InChIKey

HJQILFPVRNHTIG-UHFFFAOYSA-N

Compound name

5-(3-methylphenoxy)-1H-pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 715
Patents: 202.07423 Da
Monoisotopic Mass: 1.4
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]+	203.08151	141.5
[M+Na]+	225.06345	151.1
[M-H]-	201.06695	144.8
[M+NH4]+	220.10805	157.3
[M+K]+	241.03739	147.1
[M+H-H2O]+	185.07149	133.3
[M+HCOO]-	247.07243	163.4
[M+CH3COO]-	261.08808	181.4
[M+Na-2H]-	223.04890	149.4
[M]+	202.07368	141.6
[M]-	202.07478	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe