CID 6034

Ethopabate

Structural Information

Molecular Formula

C₁₂H₁₅NO₄

SMILES

CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)OC

InChI

InChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)

InChIKey

GOVWOKSKFSBNGD-UHFFFAOYSA-N

Compound name

methyl 4-acetamido-2-ethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 38
References: 569
Patents: 237.10011 Da
Monoisotopic Mass: 1.2
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]+	238.107386	151.5
[M+Na]+	260.089328	158.6
[M-H]-	236.092834	155.4
[M+NH4]+	255.133933	169.1
[M+K]+	276.063268	157.9
[M+H-H2O]+	220.097370	144.9
[M+HCOO]-	282.098311	175.4
[M+CH3COO]-	296.113961	194.5
[M+Na-2H]-	258.074776	154.6
[M]+	237.09956142	155.5
[M]-	237.10065858	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe