CID 65763

Terofenamate

Structural Information

Molecular Formula

C₁₇H₁₇Cl₂NO₃

SMILES

CCOCOC(=O)C1=CC=CC=C1NC2=C(C=CC(=C2Cl)C)Cl

InChI

InChI=1S/C17H17Cl2NO3/c1-3-22-10-23-17(21)12-6-4-5-7-14(12)20-16-13(18)9-8-11(2)15(16)19/h4-9,20H,3,10H2,1-2H3

InChIKey

FRQSLQPWXFAJFO-UHFFFAOYSA-N

Compound name

ethoxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2564
Patents: 353.05856 Da
Monoisotopic Mass: 5.8
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]+	354.06584	177.9
[M+Na]+	376.04778	187.1
[M-H]-	352.05128	184.3
[M+NH4]+	371.09238	192.5
[M+K]+	392.02172	181.2
[M+H-H2O]+	336.05582	171.6
[M+HCOO]-	398.05676	192.5
[M+CH3COO]-	412.07241	213.9
[M+Na-2H]-	374.03323	179.5
[M]+	353.05801	185.4
[M]-	353.05911	185.4

Literature stripe

literature stripe

Patent stripe

patents stripe