CID 3047800

Odalprofen

Structural Information

Molecular Formula

C₂₀H₂₀N₂O₂

SMILES

CC(C1=CC(=CC=C1)C(C2=CC=CC=C2)N3C=CN=C3)C(=O)OC

InChI

InChI=1S/C20H20N2O2/c1-15(20(23)24-2)17-9-6-10-18(13-17)19(22-12-11-21-14-22)16-7-4-3-5-8-16/h3-15,19H,1-2H3

InChIKey

YRSBGQIQVSGCJT-UHFFFAOYSA-N

Compound name

methyl 2-[3-[imidazol-1-yl(phenyl)methyl]phenyl]propanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 22
Patents: 320.15247 Da
Monoisotopic Mass: 3.5
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]+	321.159746	176.8
[M+Na]+	343.141688	182.1
[M-H]-	319.145194	183.7
[M+NH4]+	338.186293	189.1
[M+K]+	359.115628	178.1
[M+H-H2O]+	303.149730	166.5
[M+HCOO]-	365.150671	196.2
[M+CH3COO]-	379.166321	207.3
[M+Na-2H]-	341.127136	177.2
[M]+	320.15192142	177.6
[M]-	320.15301858	177.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe