CID 12771065

Etobenzanid

Structural Information

Molecular Formula

C₁₆H₁₅Cl₂NO₃

SMILES

CCOCOC1=CC=C(C=C1)C(=O)NC2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C16H15Cl2NO3/c1-2-21-10-22-12-8-6-11(7-9-12)16(20)19-14-5-3-4-13(17)15(14)18/h3-9H,2,10H2,1H3,(H,19,20)

InChIKey

ICWUMLXQKFTJMH-UHFFFAOYSA-N

Compound name

N-(2,3-dichlorophenyl)-4-(ethoxymethoxy)benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17298
Patents: 339.0429 Da
Monoisotopic Mass: 4.0
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]+	340.05018	173.4
[M+Na]+	362.03212	182.1
[M-H]-	338.03562	179.6
[M+NH4]+	357.07672	188.3
[M+K]+	378.00606	176.4
[M+H-H2O]+	322.04016	167.0
[M+HCOO]-	384.04110	188.4
[M+CH3COO]-	398.05675	209.8
[M+Na-2H]-	360.01757	176.3
[M]+	339.04235	180.2
[M]-	339.04345	180.2

Literature stripe

literature stripe

Patent stripe

patents stripe